(4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol

C20H26O — CID 143764449

IUPAC(4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol
SMILESC=C/C=C1/CCC(=C/C)/C(=C(C=C)/C=C\C(=C)CCO)C1
InChIInChI=1S/C20H26O/c1-5-8-17-10-12-19(7-3)20(15-17)18(6-2)11-9-16(4)13-14-21/h5-9,11,21H,1-2,4,10,12-15H2,3H3/b11-9-,17-8-,19-7-,20-18+
InChIKeyRLBIKFGRXCDLAM-RHDBURSZSA-N
MW282.43 g/mol
LogP5.21
Rot. Bonds6

About (4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol

(4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol (PubChem CID 143764449) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is (4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol.

Molecular Properties

Compound Name(4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol
PubChem CID143764449
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name(4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol
SMILESC=C/C=C1/CCC(=C/C)/C(=C(C=C)/C=C\C(=C)CCO)C1
InChIInChI=1S/C20H26O/c1-5-8-17-10-12-19(7-3)20(15-17)18(6-2)11-9-16(4)13-14-21/h5-9,11,21H,1-2,4,10,12-15H2,3H3/b11-9-,17-8-,19-7-,20-18+
InChIKeyRLBIKFGRXCDLAM-RHDBURSZSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.21
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 (4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol?
The IUPAC name of (4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol (CID 143764449) is (4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol.
What is the SMILES notation for (4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol?
The canonical SMILES for (4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol is C=C/C=C1/CCC(=C/C)/C(=C(C=C)/C=C\C(=C)CCO)C1.
What is the InChIKey of (4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol?
The InChIKey is RLBIKFGRXCDLAM-RHDBURSZSA-N. The full InChI is InChI=1S/C20H26O/c1-5-8-17-10-12-19(7-3)20(15-17)18(6-2)11-9-16(4)13-14-21/h5-9,11,21H,1-2,4,10,12-15H2,3H3/b11-9-,17-8-,19-7-,20-18+.
What are the key properties of (4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol?
(4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol has a molecular weight of 282.43 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol is sourced from PubChem (CID 143764449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).