(2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran

C12H22O — CID 135194511

IUPAC(2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran
SMILESCC(C)C1=C(C(C)C)[C@H](C)O[C@H]1C
InChIInChI=1S/C12H22O/c1-7(2)11-9(5)13-10(6)12(11)8(3)4/h7-10H,1-6H3/t9-,10-/m0/s1
InChIKeyCYTSIVRIXZWUNZ-UWVGGRQHSA-N
MW182.31 g/mol
LogP3.40
Rot. Bonds2

About (2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran

(2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran (PubChem CID 135194511) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran
PubChem CID135194511
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran
SMILESCC(C)C1=C(C(C)C)[C@H](C)O[C@H]1C
InChIInChI=1S/C12H22O/c1-7(2)11-9(5)13-10(6)12(11)8(3)4/h7-10H,1-6H3/t9-,10-/m0/s1
InChIKeyCYTSIVRIXZWUNZ-UWVGGRQHSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran?
The IUPAC name of (2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran (CID 135194511) is (2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran.
What is the SMILES notation for (2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran?
The canonical SMILES for (2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran is CC(C)C1=C(C(C)C)[C@H](C)O[C@H]1C.
What is the InChIKey of (2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran?
The InChIKey is CYTSIVRIXZWUNZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H22O/c1-7(2)11-9(5)13-10(6)12(11)8(3)4/h7-10H,1-6H3/t9-,10-/m0/s1.
What are the key properties of (2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran?
(2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran has a molecular weight of 182.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dimethyl-3,4-di(propan-2-yl)-2,5-dihydrofuran is sourced from PubChem (CID 135194511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).