6-butyl-1-methylcyclohexa-1,3-diene

C11H18 — CID 12599191

IUPAC6-butyl-1-methylcyclohexa-1,3-diene
SMILESCCCCC1CC=CC=C1C
InChIInChI=1S/C11H18/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,11H,3-4,8-9H2,1-2H3
InChIKeyKHHHBPCDUARBIT-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds3

About 6-butyl-1-methylcyclohexa-1,3-diene

6-butyl-1-methylcyclohexa-1,3-diene (PubChem CID 12599191) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 6-butyl-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-butyl-1-methylcyclohexa-1,3-diene
PubChem CID12599191
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name6-butyl-1-methylcyclohexa-1,3-diene
SMILESCCCCC1CC=CC=C1C
InChIInChI=1S/C11H18/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,11H,3-4,8-9H2,1-2H3
InChIKeyKHHHBPCDUARBIT-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

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
alpha-PHELLANDRENE
CID 7460
Alpha-Terpinene
CID 7462
Beta-Phellandrene
CID 11142
alpha-PHELLANDRENE, (-)-
CID 442482
Beta-Bisabolene
CID 10104370
Germacrene D
CID 5317570
(+)-alpha-Phellandrene
CID 443160
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597

Frequently Asked Questions

What is the IUPAC name of 6-butyl-1-methylcyclohexa-1,3-diene?
The IUPAC name of 6-butyl-1-methylcyclohexa-1,3-diene (CID 12599191) is 6-butyl-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 6-butyl-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 6-butyl-1-methylcyclohexa-1,3-diene is CCCCC1CC=CC=C1C.
What is the InChIKey of 6-butyl-1-methylcyclohexa-1,3-diene?
The InChIKey is KHHHBPCDUARBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,11H,3-4,8-9H2,1-2H3.
What are the key properties of 6-butyl-1-methylcyclohexa-1,3-diene?
6-butyl-1-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 6-butyl-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 12599191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).