(1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol

C20H32O — CID 45267132

IUPAC(1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol
SMILESCC1=C\C/C=C(\C)CC/C=C(\C)CC[C@](O)(C(C)C)/C=C\1
InChIInChI=1S/C20H32O/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,21H,6-7,9,13,15H2,1-5H3/b14-12-,17-8+,18-10+,19-11+/t20-/m0/s1
InChIKeyPOAOITUJCBBZJW-ZYYPUGONSA-N
MW288.48 g/mol
LogP5.73
Rot. Bonds1

About (1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol

(1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol (PubChem CID 45267132) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol.

Molecular Properties

Compound Name(1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol
PubChem CID45267132
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol
SMILESCC1=C\C/C=C(\C)CC/C=C(\C)CC[C@](O)(C(C)C)/C=C\1
InChIInChI=1S/C20H32O/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,21H,6-7,9,13,15H2,1-5H3/b14-12-,17-8+,18-10+,19-11+/t20-/m0/s1
InChIKeyPOAOITUJCBBZJW-ZYYPUGONSA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11105550
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4R)-rel-
CID 122485
trans-1-Methyl-4-(1-methylvinyl)cyclohex-2-en-1-ol
CID 155626
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-
CID 12618691
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-
CID 122484
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-rel-
CID 111274
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis-
CID 526657
cis-p-Menth-2-en-1-ol
CID 5319367
Serratol
CID 53249071
p-Mentha-2,8-dien-1-ol, (Z)-
CID 5319363
(R)-Nephthenol
CID 6443020
Eunicol
CID 56951445

Frequently Asked Questions

What is the IUPAC name of (1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol?
The IUPAC name of (1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol (CID 45267132) is (1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol.
What is the SMILES notation for (1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol?
The canonical SMILES for (1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol is CC1=C\C/C=C(\C)CC/C=C(\C)CC[C@](O)(C(C)C)/C=C\1.
What is the InChIKey of (1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol?
The InChIKey is POAOITUJCBBZJW-ZYYPUGONSA-N. The full InChI is InChI=1S/C20H32O/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,21H,6-7,9,13,15H2,1-5H3/b14-12-,17-8+,18-10+,19-11+/t20-/m0/s1.
What are the key properties of (1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol?
(1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol is sourced from PubChem (CID 45267132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).