(4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene

C23H32 — CID 178165615

IUPAC(4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene
SMILESC=C/C=C(/C)C(C)CC1=C(/C=C/C)C(C)(C)C(=C/C=C)/C1=C\C
InChIInChI=1S/C23H32/c1-9-13-17(5)18(6)16-20-19(12-4)21(14-10-2)23(7,8)22(20)15-11-3/h9-15,18H,1-2,16H2,3-8H3/b15-11+,17-13-,19-12-,21-14+
InChIKeyKXFCAYLDDCRMKX-CKIVHCLASA-N
MW308.51 g/mol
LogP7.12
Rot. Bonds6

About (4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene

(4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene (PubChem CID 178165615) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is (4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene.

Molecular Properties

Compound Name(4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene
PubChem CID178165615
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name(4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene
SMILESC=C/C=C(/C)C(C)CC1=C(/C=C/C)C(C)(C)C(=C/C=C)/C1=C\C
InChIInChI=1S/C23H32/c1-9-13-17(5)18(6)16-20-19(12-4)21(14-10-2)23(7,8)22(20)15-11-3/h9-15,18H,1-2,16H2,3-8H3/b15-11+,17-13-,19-12-,21-14+
InChIKeyKXFCAYLDDCRMKX-CKIVHCLASA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene?
The IUPAC name of (4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene (CID 178165615) is (4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene.
What is the SMILES notation for (4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene?
The canonical SMILES for (4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene is C=C/C=C(/C)C(C)CC1=C(/C=C/C)C(C)(C)C(=C/C=C)/C1=C\C.
What is the InChIKey of (4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene?
The InChIKey is KXFCAYLDDCRMKX-CKIVHCLASA-N. The full InChI is InChI=1S/C23H32/c1-9-13-17(5)18(6)16-20-19(12-4)21(14-10-2)23(7,8)22(20)15-11-3/h9-15,18H,1-2,16H2,3-8H3/b15-11+,17-13-,19-12-,21-14+.
What are the key properties of (4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene?
(4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene has a molecular weight of 308.51 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene is sourced from PubChem (CID 178165615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).