(5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol

C23H44O — CID 135010987

IUPAC(5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol
SMILESCCC/C=C(CCC)/C(CCC)=C(/CCC)C(O)(CCC)CCC
InChIInChI=1S/C23H44O/c1-7-13-17-20(14-8-2)21(15-9-3)22(16-10-4)23(24,18-11-5)19-12-6/h17,24H,7-16,18-19H2,1-6H3/b20-17+,22-21-
InChIKeyVWBQLMWPABUVSD-LRYQFLRPSA-N
MW336.60 g/mol
LogP7.74
Rot. Bonds14

About (5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol

(5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol (PubChem CID 135010987) has the molecular formula C23H44O and a molecular weight of 336.60 g/mol. Its IUPAC name is (5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol.

Molecular Properties

Compound Name(5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol
PubChem CID135010987
Molecular FormulaC23H44O
Molecular Weight336.60 g/mol
Exact Mass336.34
IUPAC Name(5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol
SMILESCCC/C=C(CCC)/C(CCC)=C(/CCC)C(O)(CCC)CCC
InChIInChI=1S/C23H44O/c1-7-13-17-20(14-8-2)21(15-9-3)22(16-10-4)23(24,18-11-5)19-12-6/h17,24H,7-16,18-19H2,1-6H3/b20-17+,22-21-
InChIKeyVWBQLMWPABUVSD-LRYQFLRPSA-N
XLogP7.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.60
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-propylhept-3-en-2-one
CID 537652
(2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile
CID 101430362
(4Z,6E)-2-bromo-4,5,6-tripropyldeca-1,4,6-triene
CID 177407414
N,N-dimethyl-2-propylhex-2-enamide
CID 175550014
2-propylhex-2-eneperoxoic acid
CID 175435177
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene
CID 11771158
(4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene
CID 135026457
[(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 101455170
2,3-dimethylhept-3-en-2-ol
CID 175454494
2-hydroxy-2-propylnonadec-4-enoic acid
CID 150727907
(E)-4-tert-butyloct-4-ene
CID 140632550

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol?
The IUPAC name of (5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol (CID 135010987) is (5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol.
What is the SMILES notation for (5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol?
The canonical SMILES for (5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol is CCC/C=C(CCC)/C(CCC)=C(/CCC)C(O)(CCC)CCC.
What is the InChIKey of (5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol?
The InChIKey is VWBQLMWPABUVSD-LRYQFLRPSA-N. The full InChI is InChI=1S/C23H44O/c1-7-13-17-20(14-8-2)21(15-9-3)22(16-10-4)23(24,18-11-5)19-12-6/h17,24H,7-16,18-19H2,1-6H3/b20-17+,22-21-.
What are the key properties of (5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol?
(5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol has a molecular weight of 336.60 g/mol, XLogP of 7.74, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-4,5,6,7-tetrapropylundeca-5,7-dien-4-ol is sourced from PubChem (CID 135010987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).