[3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene

C24H32 — CID 123589609

IUPAC[3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene
SMILESC=C(CC(C)(C)C)C(CC1CC1)C1C=C(c2ccccc2)C=C1C
InChIInChI=1S/C24H32/c1-17-13-21(20-9-7-6-8-10-20)15-23(17)22(14-19-11-12-19)18(2)16-24(3,4)5/h6-10,13,15,19,22-23H,2,11-12,14,16H2,1,3-5H3
InChIKeyPCSDIYYCRLJZTH-UHFFFAOYSA-N
MW320.52 g/mol
LogP7.05
Rot. Bonds6

About [3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene

[3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene (PubChem CID 123589609) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is [3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene.

Molecular Properties

Compound Name[3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene
PubChem CID123589609
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name[3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene
SMILESC=C(CC(C)(C)C)C(CC1CC1)C1C=C(c2ccccc2)C=C1C
InChIInChI=1S/C24H32/c1-17-13-21(20-9-7-6-8-10-20)15-23(17)22(14-19-11-12-19)18(2)16-24(3,4)5/h6-10,13,15,19,22-23H,2,11-12,14,16H2,1,3-5H3
InChIKeyPCSDIYYCRLJZTH-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene?
The IUPAC name of [3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene (CID 123589609) is [3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene.
What is the SMILES notation for [3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene?
The canonical SMILES for [3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene is C=C(CC(C)(C)C)C(CC1CC1)C1C=C(c2ccccc2)C=C1C.
What is the InChIKey of [3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene?
The InChIKey is PCSDIYYCRLJZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32/c1-17-13-21(20-9-7-6-8-10-20)15-23(17)22(14-19-11-12-19)18(2)16-24(3,4)5/h6-10,13,15,19,22-23H,2,11-12,14,16H2,1,3-5H3.
What are the key properties of [3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene?
[3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene has a molecular weight of 320.52 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene is sourced from PubChem (CID 123589609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).