1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane

C19H34 — CID 163959015

IUPAC1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane
SMILESC=C1CCC(=C(CCCCC)C(C)(C)CCC)CC1
InChIInChI=1S/C19H34/c1-6-8-9-10-18(19(4,5)15-7-2)17-13-11-16(3)12-14-17/h3,6-15H2,1-2,4-5H3
InChIKeySFWKXHTZHHIICJ-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.82
Rot. Bonds7

About 1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane

1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane (PubChem CID 163959015) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane
PubChem CID163959015
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane
SMILESC=C1CCC(=C(CCCCC)C(C)(C)CCC)CC1
InChIInChI=1S/C19H34/c1-6-8-9-10-18(19(4,5)15-7-2)17-13-11-16(3)12-14-17/h3,6-15H2,1-2,4-5H3
InChIKeySFWKXHTZHHIICJ-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane?
The IUPAC name of 1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane (CID 163959015) is 1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane.
What is the SMILES notation for 1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane?
The canonical SMILES for 1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane is C=C1CCC(=C(CCCCC)C(C)(C)CCC)CC1.
What is the InChIKey of 1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane?
The InChIKey is SFWKXHTZHHIICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-6-8-9-10-18(19(4,5)15-7-2)17-13-11-16(3)12-14-17/h3,6-15H2,1-2,4-5H3.
What are the key properties of 1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane?
1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane has a molecular weight of 262.48 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane is sourced from PubChem (CID 163959015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).