bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane

C93H186O6 — CID 159738816

IUPACbis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane
SMILESCC(C)C1CCOC1C(C)C.CC(C)[C@@H]1CCC[C@H]1C(C)C.CC(C)[C@@H]1COC[C@H]1C(C)C.CC(C)[C@H]1CCC[C@H]1C(C)C.CC(C)[C@H]1CCC[C@H]1C(C)C.CC(C)[C@H]1CCO[C@H]1C(C)C.CC(C)[C@H]1COC[C@H]1C(C)C.CC(C)[C@H]1COC[C@H]1C(C)C.CC(C)[C@H]1OCC[C@H]1C(C)C
InChIInChI=1S/3C11H22.6C10H20O/c3*1-8(2)10-6-5-7-11(10)9(3)4;3*1-7(2)9-5-11-6-10(9)8(3)4;3*1-7(2)9-5-6-11-10(9)8(3)4/h3*8-11H,5-7H2,1-4H3;6*7-10H,5-6H2,1-4H3/t2*10-,11+;10-,11-;2*9-,10+;9-,10-;2*9-,10+;/m..0..010./s1
InChIKeyNCEJSMICEPVUAD-LDBWVZGBSA-N
MW1400.50 g/mol
LogP26.94
Rot. Bonds18

About bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane

bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane (PubChem CID 159738816) has the molecular formula C93H186O6 and a molecular weight of 1400.50 g/mol. Its IUPAC name is bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane.

Molecular Properties

Compound Namebis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane
PubChem CID159738816
Molecular FormulaC93H186O6
Molecular Weight1400.50 g/mol
Exact Mass1399.42
IUPAC Namebis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane
SMILESCC(C)C1CCOC1C(C)C.CC(C)[C@@H]1CCC[C@H]1C(C)C.CC(C)[C@@H]1COC[C@H]1C(C)C.CC(C)[C@H]1CCC[C@H]1C(C)C.CC(C)[C@H]1CCC[C@H]1C(C)C.CC(C)[C@H]1CCO[C@H]1C(C)C.CC(C)[C@H]1COC[C@H]1C(C)C.CC(C)[C@H]1COC[C@H]1C(C)C.CC(C)[C@H]1OCC[C@H]1C(C)C
InChIInChI=1S/3C11H22.6C10H20O/c3*1-8(2)10-6-5-7-11(10)9(3)4;3*1-7(2)9-5-11-6-10(9)8(3)4;3*1-7(2)9-5-6-11-10(9)8(3)4/h3*8-11H,5-7H2,1-4H3;6*7-10H,5-6H2,1-4H3/t2*10-,11+;10-,11-;2*9-,10+;9-,10-;2*9-,10+;/m..0..010./s1
InChIKeyNCEJSMICEPVUAD-LDBWVZGBSA-N
XLogP26.94
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001400.50
LogP ≤ 526.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane?
The IUPAC name of bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane (CID 159738816) is bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane.
What is the SMILES notation for bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane?
The canonical SMILES for bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane is CC(C)C1CCOC1C(C)C.CC(C)[C@@H]1CCC[C@H]1C(C)C.CC(C)[C@@H]1COC[C@H]1C(C)C.CC(C)[C@H]1CCC[C@H]1C(C)C.CC(C)[C@H]1CCC[C@H]1C(C)C.CC(C)[C@H]1CCO[C@H]1C(C)C.CC(C)[C@H]1COC[C@H]1C(C)C.CC(C)[C@H]1COC[C@H]1C(C)C.CC(C)[C@H]1OCC[C@H]1C(C)C.
What is the InChIKey of bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane?
The InChIKey is NCEJSMICEPVUAD-LDBWVZGBSA-N. The full InChI is InChI=1S/3C11H22.6C10H20O/c3*1-8(2)10-6-5-7-11(10)9(3)4;3*1-7(2)9-5-11-6-10(9)8(3)4;3*1-7(2)9-5-6-11-10(9)8(3)4/h3*8-11H,5-7H2,1-4H3;6*7-10H,5-6H2,1-4H3/t2*10-,11+;10-,11-;2*9-,10+;9-,10-;2*9-,10+;/m..0..010./s1.
What are the key properties of bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane?
bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane has a molecular weight of 1400.50 g/mol, XLogP of 26.94, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane is sourced from PubChem (CID 159738816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).