(Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol

C18H32O — CID 163390649

IUPAC(Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol
SMILESC/C=C(\C=C/C(CC(C)CC)=C(C)CC)C(C)(C)O
InChIInChI=1S/C18H32O/c1-8-14(4)13-16(15(5)9-2)11-12-17(10-3)18(6,7)19/h10-12,14,19H,8-9,13H2,1-7H3/b12-11+,16-15?,17-10+
InChIKeyWENIIFWFWQKFBZ-FOZGYQLXSA-N
MW264.45 g/mol
LogP5.42
Rot. Bonds7

About (Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol

(Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol (PubChem CID 163390649) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol.

Molecular Properties

Compound Name(Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol
PubChem CID163390649
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol
SMILESC/C=C(\C=C/C(CC(C)CC)=C(C)CC)C(C)(C)O
InChIInChI=1S/C18H32O/c1-8-14(4)13-16(15(5)9-2)11-12-17(10-3)18(6,7)19/h10-12,14,19H,8-9,13H2,1-7H3/b12-11+,16-15?,17-10+
InChIKeyWENIIFWFWQKFBZ-FOZGYQLXSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.42
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 (Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol?
The IUPAC name of (Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol (CID 163390649) is (Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol.
What is the SMILES notation for (Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol?
The canonical SMILES for (Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol is C/C=C(\C=C/C(CC(C)CC)=C(C)CC)C(C)(C)O.
What is the InChIKey of (Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol?
The InChIKey is WENIIFWFWQKFBZ-FOZGYQLXSA-N. The full InChI is InChI=1S/C18H32O/c1-8-14(4)13-16(15(5)9-2)11-12-17(10-3)18(6,7)19/h10-12,14,19H,8-9,13H2,1-7H3/b12-11+,16-15?,17-10+.
What are the key properties of (Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol?
(Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol has a molecular weight of 264.45 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-6-butan-2-ylidene-3-ethylidene-2,8-dimethyldec-4-en-2-ol is sourced from PubChem (CID 163390649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).