(2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol

C15H26O — CID 11831047

IUPAC(2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol
SMILESC=C(C)[C@H](CO)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9,15-16H,3,6,8,10-11H2,1-2,4-5H3/b14-9+/t15-/m0/s1
InChIKeyJTSPVWIYQLSMER-HNRFISLBSA-N
MW222.37 g/mol
LogP4.25
Rot. Bonds7

About (2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol

(2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol (PubChem CID 11831047) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol.

Molecular Properties

Compound Name(2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol
PubChem CID11831047
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol
SMILESC=C(C)[C@H](CO)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9,15-16H,3,6,8,10-11H2,1-2,4-5H3/b14-9+/t15-/m0/s1
InChIKeyJTSPVWIYQLSMER-HNRFISLBSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-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

Frequently Asked Questions

What is the IUPAC name of (2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol?
The IUPAC name of (2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol (CID 11831047) is (2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol.
What is the SMILES notation for (2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol?
The canonical SMILES for (2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol is C=C(C)[C@H](CO)C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol?
The InChIKey is JTSPVWIYQLSMER-HNRFISLBSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9,15-16H,3,6,8,10-11H2,1-2,4-5H3/b14-9+/t15-/m0/s1.
What are the key properties of (2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol?
(2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol is sourced from PubChem (CID 11831047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).