(2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol

C18H26O — CID 144597359

IUPAC(2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol
SMILESC/C=C\C=C(/CO)c1ccc(C(CC)CCC)cc1
InChIInChI=1S/C18H26O/c1-4-7-9-18(14-19)17-12-10-16(11-13-17)15(6-3)8-5-2/h4,7,9-13,15,19H,5-6,8,14H2,1-3H3/b7-4-,18-9+
InChIKeyCSQUYPQPYGGPSI-NADVTQELSA-N
MW258.40 g/mol
LogP4.93
Rot. Bonds7

About (2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol

(2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol (PubChem CID 144597359) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol
PubChem CID144597359
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol
SMILESC/C=C\C=C(/CO)c1ccc(C(CC)CCC)cc1
InChIInChI=1S/C18H26O/c1-4-7-9-18(14-19)17-12-10-16(11-13-17)15(6-3)8-5-2/h4,7,9-13,15,19H,5-6,8,14H2,1-3H3/b7-4-,18-9+
InChIKeyCSQUYPQPYGGPSI-NADVTQELSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol?
The IUPAC name of (2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol (CID 144597359) is (2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol.
What is the SMILES notation for (2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol?
The canonical SMILES for (2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol is C/C=C\C=C(/CO)c1ccc(C(CC)CCC)cc1.
What is the InChIKey of (2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol?
The InChIKey is CSQUYPQPYGGPSI-NADVTQELSA-N. The full InChI is InChI=1S/C18H26O/c1-4-7-9-18(14-19)17-12-10-16(11-13-17)15(6-3)8-5-2/h4,7,9-13,15,19H,5-6,8,14H2,1-3H3/b7-4-,18-9+.
What are the key properties of (2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol?
(2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol has a molecular weight of 258.40 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-(4-hexan-3-ylphenyl)hexa-2,4-dien-1-ol is sourced from PubChem (CID 144597359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).