(1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol

C14H22O — CID 162843655

IUPAC(1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol
SMILESC=C1CC/C=C(\C)CC/C=C(\C)C[C@H]1O
InChIInChI=1S/C14H22O/c1-11-6-4-8-12(2)10-14(15)13(3)9-5-7-11/h7-8,14-15H,3-6,9-10H2,1-2H3/b11-7+,12-8+/t14-/m1/s1
InChIKeyNWBFVPGCVIAARR-PVBOWYOQSA-N
MW206.33 g/mol
LogP3.76
Rot. Bonds

About (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol

(1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol (PubChem CID 162843655) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol.

Molecular Properties

Compound Name(1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol
PubChem CID162843655
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol
SMILESC=C1CC/C=C(\C)CC/C=C(\C)C[C@H]1O
InChIInChI=1S/C14H22O/c1-11-6-4-8-12(2)10-14(15)13(3)9-5-7-11/h7-8,14-15H,3-6,9-10H2,1-2H3/b11-7+,12-8+/t14-/m1/s1
InChIKeyNWBFVPGCVIAARR-PVBOWYOQSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ipsdienol
CID 92301
(4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol
CID 181296
4-Methyl-3-decen-5-ol
CID 163336
2-Methyl-6-methylene-2,7-octadien-4-ol
CID 85734
4-Methyldec-3-en-5-ol
CID 6441135
2-Cyclohexen-1-ol, 3-methyl-
CID 89487
(2E,6E,9xi)-Farnesol
CID 101648403
Humulenol I
CID 101417891
Humulenol II
CID 102115341
(1R,4E,7R,10E)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol
CID 155536387
Boletinin C
CID 10426301
boletinin B
CID 11723673

Frequently Asked Questions

What is the IUPAC name of (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol?
The IUPAC name of (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol (CID 162843655) is (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol.
What is the SMILES notation for (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol?
The canonical SMILES for (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol is C=C1CC/C=C(\C)CC/C=C(\C)C[C@H]1O.
What is the InChIKey of (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol?
The InChIKey is NWBFVPGCVIAARR-PVBOWYOQSA-N. The full InChI is InChI=1S/C14H22O/c1-11-6-4-8-12(2)10-14(15)13(3)9-5-7-11/h7-8,14-15H,3-6,9-10H2,1-2H3/b11-7+,12-8+/t14-/m1/s1.
What are the key properties of (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol?
(1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol is sourced from PubChem (CID 162843655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).