(6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol

C25H44O — CID 143578892

IUPAC(6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol
SMILESC=C(O)CC(C/C=C/CCCCC(=C)CCCCCCCCC)C(=C)C
InChIInChI=1S/C25H44O/c1-6-7-8-9-10-12-15-18-23(4)19-16-13-11-14-17-20-25(22(2)3)21-24(5)26/h14,17,25-26H,2,4-13,15-16,18-21H2,1,3H3/b17-14+
InChIKeyNDKOXGBUSGCJDI-SAPNQHFASA-N
MW360.63 g/mol
LogP8.84
Rot. Bonds18

About (6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol

(6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol (PubChem CID 143578892) has the molecular formula C25H44O and a molecular weight of 360.63 g/mol. Its IUPAC name is (6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol.

Molecular Properties

Compound Name(6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol
PubChem CID143578892
Molecular FormulaC25H44O
Molecular Weight360.63 g/mol
Exact Mass360.34
IUPAC Name(6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol
SMILESC=C(O)CC(C/C=C/CCCCC(=C)CCCCCCCCC)C(=C)C
InChIInChI=1S/C25H44O/c1-6-7-8-9-10-12-15-18-23(4)19-16-13-11-14-17-20-25(22(2)3)21-24(5)26/h14,17,25-26H,2,4-13,15-16,18-21H2,1,3H3/b17-14+
InChIKeyNDKOXGBUSGCJDI-SAPNQHFASA-N
XLogP8.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 98067241
2-[(2E,9E)-hexadeca-2,9-dienyl]butanedioic acid
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2-oct-2-enyldec-4-enedioic acid
CID 123647118
2-pentacos-2-enylbutanedioic acid
CID 139984745
2-pentadec-2-enylbutanedioic acid
CID 54072439
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
CID 170844575
CID 170844575
19-methylideneheptatriacontane;titanium
CID 174477367
2-[(E)-nonadec-2-enyl]propanedioic acid
CID 156873698
2-[(E)-dec-2-enyl]propanedioic acid
CID 156873573
(5E,7Z)-13-methylideneheptadeca-5,7-diene
CID 57162564

Frequently Asked Questions

What is the IUPAC name of (6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol?
The IUPAC name of (6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol (CID 143578892) is (6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol.
What is the SMILES notation for (6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol?
The canonical SMILES for (6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol is C=C(O)CC(C/C=C/CCCCC(=C)CCCCCCCCC)C(=C)C.
What is the InChIKey of (6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol?
The InChIKey is NDKOXGBUSGCJDI-SAPNQHFASA-N. The full InChI is InChI=1S/C25H44O/c1-6-7-8-9-10-12-15-18-23(4)19-16-13-11-14-17-20-25(22(2)3)21-24(5)26/h14,17,25-26H,2,4-13,15-16,18-21H2,1,3H3/b17-14+.
What are the key properties of (6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol?
(6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol has a molecular weight of 360.63 g/mol, XLogP of 8.84, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol is sourced from PubChem (CID 143578892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).