(2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol

C17H24O — CID 11746883

IUPAC(2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)Cc1cccc(C)c1
InChIInChI=1S/C17H24O/c1-14(10-11-18)6-4-7-15(2)12-17-9-5-8-16(3)13-17/h5,7-10,13,18H,4,6,11-12H2,1-3H3/b14-10+,15-7+
InChIKeyVZUFORHORPIJSR-SADFVUDUSA-N
MW244.38 g/mol
LogP4.20
Rot. Bonds6

About (2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol

(2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol (PubChem CID 11746883) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol
PubChem CID11746883
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)Cc1cccc(C)c1
InChIInChI=1S/C17H24O/c1-14(10-11-18)6-4-7-15(2)12-17-9-5-8-16(3)13-17/h5,7-10,13,18H,4,6,11-12H2,1-3H3/b14-10+,15-7+
InChIKeyVZUFORHORPIJSR-SADFVUDUSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.20
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 (2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol (CID 11746883) is (2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol is C/C(=C\CO)CC/C=C(\C)Cc1cccc(C)c1.
What is the InChIKey of (2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol?
The InChIKey is VZUFORHORPIJSR-SADFVUDUSA-N. The full InChI is InChI=1S/C17H24O/c1-14(10-11-18)6-4-7-15(2)12-17-9-5-8-16(3)13-17/h5,7-10,13,18H,4,6,11-12H2,1-3H3/b14-10+,15-7+.
What are the key properties of (2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol?
(2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol has a molecular weight of 244.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol is sourced from PubChem (CID 11746883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).