(2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol

C20H32O2 — CID 5387251

IUPAC(2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol
SMILESC/C(=C\CCc1ccoc1)CC[C@H]1C(C)(C)CCCC1(C)O
InChIInChI=1S/C20H32O2/c1-16(7-5-8-17-11-14-22-15-17)9-10-18-19(2,3)12-6-13-20(18,4)21/h7,11,14-15,18,21H,5-6,8-10,12-13H2,1-4H3/b16-7+/t18-,20?/m0/s1
InChIKeyGWDLJHLACNCUDH-KTDMFQGVSA-N
MW304.47 g/mol
LogP5.52
Rot. Bonds6

About (2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol

(2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol (PubChem CID 5387251) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol
PubChem CID5387251
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol
SMILESC/C(=C\CCc1ccoc1)CC[C@H]1C(C)(C)CCCC1(C)O
InChIInChI=1S/C20H32O2/c1-16(7-5-8-17-11-14-22-15-17)9-10-18-19(2,3)12-6-13-20(18,4)21/h7,11,14-15,18,21H,5-6,8-10,12-13H2,1-4H3/b16-7+/t18-,20?/m0/s1
InChIKeyGWDLJHLACNCUDH-KTDMFQGVSA-N
XLogP5.52
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol with MolForge

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Related Compounds

3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan
CID 72726849
3-(4,8,12,16-tetramethylhenicosa-3,7,11,15,19-pentaenyl)furan
CID 123177359
3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
CID 5316534
3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan
CID 123271436
3-(4,8-dimethylpentadeca-3,7-dienyl)furan
CID 74218572
3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan
CID 73196075
3-[(3E,7E,11E,15E,19E)-4,8,12,16,20-pentamethyltetracosa-3,7,11,15,19-pentaen-23-ynyl]furan
CID 89431367
3-[(3E,7E,11E,15E,19E)-4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19,21-hexaenyl]furan
CID 89431414
3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan
CID 123470713
3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan
CID 123833340
cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
CID 132523465
3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan
CID 54588647

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol?
The IUPAC name of (2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol (CID 5387251) is (2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol.
What is the SMILES notation for (2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol?
The canonical SMILES for (2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol is C/C(=C\CCc1ccoc1)CC[C@H]1C(C)(C)CCCC1(C)O.
What is the InChIKey of (2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol?
The InChIKey is GWDLJHLACNCUDH-KTDMFQGVSA-N. The full InChI is InChI=1S/C20H32O2/c1-16(7-5-8-17-11-14-22-15-17)9-10-18-19(2,3)12-6-13-20(18,4)21/h7,11,14-15,18,21H,5-6,8-10,12-13H2,1-4H3/b16-7+/t18-,20?/m0/s1.
What are the key properties of (2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol?
(2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol has a molecular weight of 304.47 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol is sourced from PubChem (CID 5387251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).