2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene

C16H24 — CID 162365229

IUPAC2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC1C=CC(C2=CCC(C(C)C)C=C2)CC1
InChIInChI=1S/C16H24/c1-12(2)14-8-10-16(11-9-14)15-6-4-13(3)5-7-15/h4,6,8,10-15H,5,7,9H2,1-3H3
InChIKeyJFQCPWGYADMPHH-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.75
Rot. Bonds2

About 2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene

2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 162365229) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID162365229
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC1C=CC(C2=CCC(C(C)C)C=C2)CC1
InChIInChI=1S/C16H24/c1-12(2)14-8-10-16(11-9-14)15-6-4-13(3)5-7-15/h4,6,8,10-15H,5,7,9H2,1-3H3
InChIKeyJFQCPWGYADMPHH-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-propan-2-ylcyclohexa-1,3-diene
CID 123785324
5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene
CID 169445508
2-nitroso-5-propan-2-ylcyclohexa-1,3-diene
CID 121461064
(4-propan-2-ylcyclohexa-1,5-dien-1-yl)methanol
CID 519721
7-methyl-3-methylidene-10-propan-2-ylcyclodeca-1,5-diene
CID 162992916
1-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-2-methylpropan-1-ol
CID 163611370
2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine
CID 163641813
1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene
CID 23561398
(5R)-5-propan-2-ylcyclohexa-1,3-diene
CID 134896176
N-[1-[(1S)-4-iodocyclohexa-2,4-dien-1-yl]ethyl]cyclopropanamine
CID 138716059
(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene
CID 76969298
(2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one
CID 10888785

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene (CID 162365229) is 2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene is CC1C=CC(C2=CCC(C(C)C)C=C2)CC1.
What is the InChIKey of 2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is JFQCPWGYADMPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-12(2)14-8-10-16(11-9-14)15-6-4-13(3)5-7-15/h4,6,8,10-15H,5,7,9H2,1-3H3.
What are the key properties of 2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene?
2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 216.37 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 162365229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).