(1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene

C20H32 — CID 6096876

IUPAC(1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene
SMILESC=C(C)[C@H]1CC=C(C)CC/C=C(\C)CC/C=C(\C)CC1
InChIInChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12?,19-11+/t20-/m0/s1
InChIKeyVWSPQDDPRITBAM-SBGUMHNNSA-N
MW272.48 g/mol
LogP6.76
Rot. Bonds1

About (1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene

(1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene (PubChem CID 6096876) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene.

Molecular Properties

Compound Name(1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene
PubChem CID6096876
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene
SMILESC=C(C)[C@H]1CC=C(C)CC/C=C(\C)CC/C=C(\C)CC1
InChIInChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12?,19-11+/t20-/m0/s1
InChIKeyVWSPQDDPRITBAM-SBGUMHNNSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene with MolForge

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Beta-Bisabolene
CID 10104370
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597
alpha-Camphorene
CID 101750
p-Menth-1-ene
CID 21671
(+)-germacrene A
CID 9548705
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
(-)-Cembrene A
CID 5281384
2,6-Dimethyl-2-octene
CID 19974

Frequently Asked Questions

What is the IUPAC name of (1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene?
The IUPAC name of (1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene (CID 6096876) is (1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene.
What is the SMILES notation for (1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene?
The canonical SMILES for (1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene is C=C(C)[C@H]1CC=C(C)CC/C=C(\C)CC/C=C(\C)CC1.
What is the InChIKey of (1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene?
The InChIKey is VWSPQDDPRITBAM-SBGUMHNNSA-N. The full InChI is InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12?,19-11+/t20-/m0/s1.
What are the key properties of (1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene?
(1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene has a molecular weight of 272.48 g/mol, XLogP of 6.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene is sourced from PubChem (CID 6096876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).