5-butyl-2-methylcyclohexa-1,3-diene

C11H18 — CID 12596747

IUPAC5-butyl-2-methylcyclohexa-1,3-diene
SMILESCCCCC1C=CC(C)=CC1
InChIInChI=1S/C11H18/c1-3-4-5-11-8-6-10(2)7-9-11/h6-8,11H,3-5,9H2,1-2H3
InChIKeyGKBXXBXIKDDAQW-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds3

About 5-butyl-2-methylcyclohexa-1,3-diene

5-butyl-2-methylcyclohexa-1,3-diene (PubChem CID 12596747) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 5-butyl-2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-butyl-2-methylcyclohexa-1,3-diene
PubChem CID12596747
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name5-butyl-2-methylcyclohexa-1,3-diene
SMILESCCCCC1C=CC(C)=CC1
InChIInChI=1S/C11H18/c1-3-4-5-11-8-6-10(2)7-9-11/h6-8,11H,3-5,9H2,1-2H3
InChIKeyGKBXXBXIKDDAQW-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
CID 155181808
4-heptylcyclohexa-1,5-diene-1-carbonitrile
CID 90815913
2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridin-1-ium
CID 91135166
3-decylcyclobutene
CID 174421846
carboxy-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]carbamic acid
CID 70798460
5-hexyl-2-(4-octylcyclohexyl)cyclohexa-1,3-diene
CID 139627527
ethane;1-(4-methyl-7-propylcyclohepta-2,4-dien-1-yl)propan-1-one
CID 166474742
1-bromo-4-(4-hexylcyclohexa-1,5-dien-1-yl)benzene
CID 19005410
4-(4-chlorocyclohexa-2,4-dien-1-yl)butyl-diethyl-methylazanium;hexane
CID 145093400
(5S)-5-ethoxy-2-methylcyclohexa-1,3-diene
CID 89420040
6-ethyl-5-(4-ethylcyclohexa-1,5-dien-1-yl)-2-methylcyclohexa-1,3-diene
CID 123833108
N-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide
CID 145135062

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methylcyclohexa-1,3-diene?
The IUPAC name of 5-butyl-2-methylcyclohexa-1,3-diene (CID 12596747) is 5-butyl-2-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-butyl-2-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-butyl-2-methylcyclohexa-1,3-diene is CCCCC1C=CC(C)=CC1.
What is the InChIKey of 5-butyl-2-methylcyclohexa-1,3-diene?
The InChIKey is GKBXXBXIKDDAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-4-5-11-8-6-10(2)7-9-11/h6-8,11H,3-5,9H2,1-2H3.
What are the key properties of 5-butyl-2-methylcyclohexa-1,3-diene?
5-butyl-2-methylcyclohexa-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 12596747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).