(1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol

C20H32O — CID 162887924

IUPAC(1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol
SMILESC=C(C)[C@H]1CC=C(C)CC[C@@H](O)C(=C)CCC=C(C)CC1
InChIInChI=1S/C20H32O/c1-15(2)19-12-9-16(3)7-6-8-18(5)20(21)14-11-17(4)10-13-19/h7,10,19-21H,1,5-6,8-9,11-14H2,2-4H3/t19-,20-/m1/s1
InChIKeyLSODKMDOJJIXMC-WOJBJXKFSA-N
MW288.48 g/mol
LogP5.73
Rot. Bonds1

About (1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol

(1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol (PubChem CID 162887924) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol.

Molecular Properties

Compound Name(1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol
PubChem CID162887924
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol
SMILESC=C(C)[C@H]1CC=C(C)CC[C@@H](O)C(=C)CCC=C(C)CC1
InChIInChI=1S/C20H32O/c1-15(2)19-12-9-16(3)7-6-8-18(5)20(21)14-11-17(4)10-13-19/h7,10,19-21H,1,5-6,8-9,11-14H2,2-4H3/t19-,20-/m1/s1
InChIKeyLSODKMDOJJIXMC-WOJBJXKFSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol?
The IUPAC name of (1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol (CID 162887924) is (1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol.
What is the SMILES notation for (1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol?
The canonical SMILES for (1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol is C=C(C)[C@H]1CC=C(C)CC[C@@H](O)C(=C)CCC=C(C)CC1.
What is the InChIKey of (1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol?
The InChIKey is LSODKMDOJJIXMC-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H32O/c1-15(2)19-12-9-16(3)7-6-8-18(5)20(21)14-11-17(4)10-13-19/h7,10,19-21H,1,5-6,8-9,11-14H2,2-4H3/t19-,20-/m1/s1.
What are the key properties of (1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol?
(1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-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 (1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol is sourced from PubChem (CID 162887924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).