(3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol

C17H26O — CID 88932394

IUPAC(3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol
SMILESCC/C(=C(C)\C=C/C(C)C)[C@H]1C=C(O)C=CC1C
InChIInChI=1S/C17H26O/c1-6-16(13(4)8-7-12(2)3)17-11-15(18)10-9-14(17)5/h7-12,14,17-18H,6H2,1-5H3/b8-7-,16-13+/t14?,17-/m0/s1
InChIKeyXROMHDYPDIPTIR-SBUDRCGVSA-N
MW246.39 g/mol
LogP5.19
Rot. Bonds4

About (3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol

(3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol (PubChem CID 88932394) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name(3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol
PubChem CID88932394
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol
SMILESCC/C(=C(C)\C=C/C(C)C)[C@H]1C=C(O)C=CC1C
InChIInChI=1S/C17H26O/c1-6-16(13(4)8-7-12(2)3)17-11-15(18)10-9-14(17)5/h7-12,14,17-18H,6H2,1-5H3/b8-7-,16-13+/t14?,17-/m0/s1
InChIKeyXROMHDYPDIPTIR-SBUDRCGVSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-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 (3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of (3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol (CID 88932394) is (3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for (3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for (3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol is CC/C(=C(C)\C=C/C(C)C)[C@H]1C=C(O)C=CC1C.
What is the InChIKey of (3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is XROMHDYPDIPTIR-SBUDRCGVSA-N. The full InChI is InChI=1S/C17H26O/c1-6-16(13(4)8-7-12(2)3)17-11-15(18)10-9-14(17)5/h7-12,14,17-18H,6H2,1-5H3/b8-7-,16-13+/t14?,17-/m0/s1.
What are the key properties of (3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol?
(3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 246.39 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3E,5Z)-4,7-dimethylocta-3,5-dien-3-yl]-4-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 88932394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).