5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene

C12H18 — CID 123584531

IUPAC5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene
SMILESCC=C(CC)C1=CCC(C)C=C1
InChIInChI=1S/C12H18/c1-4-11(5-2)12-8-6-10(3)7-9-12/h4,6,8-10H,5,7H2,1-3H3
InChIKeyBCCHILRTJBAKCV-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds2

About 5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene

5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene (PubChem CID 123584531) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene
PubChem CID123584531
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene
SMILESCC=C(CC)C1=CCC(C)C=C1
InChIInChI=1S/C12H18/c1-4-11(5-2)12-8-6-10(3)7-9-12/h4,6,8-10H,5,7H2,1-3H3
InChIKeyBCCHILRTJBAKCV-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene
CID 145327169
3-but-2-en-2-yl-8-methylcycloocta-1,3,5-triene
CID 123382258
(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 89362390
2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine
CID 145306811
N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine
CID 143521583
cyclohepta-1,3,6-trien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144610959
2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]ethanol
CID 144873837
[2-[(4-methylbenzoyl)oxymethyl]-2-[(4-methylcyclohexa-1,5-diene-1-carbonyl)oxymethyl]butyl] 4-methylbenzoate
CID 143485707
1-(4-methylcyclohepta-1,5-dien-1-yl)propan-1-one
CID 91528802
1-fluoro-3-(4-methylcyclohexa-1,5-dien-1-yl)butan-2-amine
CID 134316623
N-[(2E,4E)-5-(4-methylcyclohexa-1,5-dien-1-yl)hepta-2,4-dien-2-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 167196202

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene?
The IUPAC name of 5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene (CID 123584531) is 5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene.
What is the SMILES notation for 5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene?
The canonical SMILES for 5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene is CC=C(CC)C1=CCC(C)C=C1.
What is the InChIKey of 5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene?
The InChIKey is BCCHILRTJBAKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-4-11(5-2)12-8-6-10(3)7-9-12/h4,6,8-10H,5,7H2,1-3H3.
What are the key properties of 5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene?
5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene has a molecular weight of 162.28 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene is sourced from PubChem (CID 123584531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).