cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane

C25H50 — CID 157078538

IUPACcis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane
SMILESCC(C)[C@@H]1CCC(C(C)C)(C(C)C)C1.CC(C)[C@@H]1CC[C@H](C(C)C)C1
InChIInChI=1S/C14H28.C11H22/c1-10(2)13-7-8-14(9-13,11(3)4)12(5)6;1-8(2)10-5-6-11(7-10)9(3)4/h10-13H,7-9H2,1-6H3;8-11H,5-7H2,1-4H3/t13-;10-,11+/m1./s1
InChIKeyADGKHTBPMWUXAU-DVJYIOECSA-N
MW350.68 g/mol
LogP8.46
Rot. Bonds5

About cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane

cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane (PubChem CID 157078538) has the molecular formula C25H50 and a molecular weight of 350.68 g/mol. Its IUPAC name is cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane.

Molecular Properties

Compound Namecis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane
PubChem CID157078538
Molecular FormulaC25H50
Molecular Weight350.68 g/mol
Exact Mass350.39
IUPAC Namecis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane
SMILESCC(C)[C@@H]1CCC(C(C)C)(C(C)C)C1.CC(C)[C@@H]1CC[C@H](C(C)C)C1
InChIInChI=1S/C14H28.C11H22/c1-10(2)13-7-8-14(9-13,11(3)4)12(5)6;1-8(2)10-5-6-11(7-10)9(3)4/h10-13H,7-9H2,1-6H3;8-11H,5-7H2,1-4H3/t13-;10-,11+/m1./s1
InChIKeyADGKHTBPMWUXAU-DVJYIOECSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-di(propan-2-yl)cyclopentane;propan-2-ylcyclopentane
CID 167644574
1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 15579949
1,1,3-trimethyl-5-propan-2-ylcycloheptane
CID 91452397
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
propan-2-ylcyclopropane;hydroiodide
CID 162314014
1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane
CID 167531805
CID 174102089
CID 174102089
trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
CID 54292427
(1S,4S,6R)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane
CID 91751113
(7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane
CID 161061988
cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane
CID 162051954
1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol
CID 68539484

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane?
The IUPAC name of cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane (CID 157078538) is cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane.
What is the SMILES notation for cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane?
The canonical SMILES for cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane is CC(C)[C@@H]1CCC(C(C)C)(C(C)C)C1.CC(C)[C@@H]1CC[C@H](C(C)C)C1.
What is the InChIKey of cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane?
The InChIKey is ADGKHTBPMWUXAU-DVJYIOECSA-N. The full InChI is InChI=1S/C14H28.C11H22/c1-10(2)13-7-8-14(9-13,11(3)4)12(5)6;1-8(2)10-5-6-11(7-10)9(3)4/h10-13H,7-9H2,1-6H3;8-11H,5-7H2,1-4H3/t13-;10-,11+/m1./s1.
What are the key properties of cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane?
cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane has a molecular weight of 350.68 g/mol, XLogP of 8.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane is sourced from PubChem (CID 157078538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).