1-but-3-enyl-2-methylcyclohexene

C11H18 — CID 12753767

IUPAC1-but-3-enyl-2-methylcyclohexene
SMILESC=CCCC1=C(C)CCCC1
InChIInChI=1S/C11H18/c1-3-4-8-11-9-6-5-7-10(11)2/h3H,1,4-9H2,2H3
InChIKeyDHSDRGMEYPCRAI-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.84
Rot. Bonds3

About 1-but-3-enyl-2-methylcyclohexene

1-but-3-enyl-2-methylcyclohexene (PubChem CID 12753767) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1-but-3-enyl-2-methylcyclohexene.

Molecular Properties

Compound Name1-but-3-enyl-2-methylcyclohexene
PubChem CID12753767
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1-but-3-enyl-2-methylcyclohexene
SMILESC=CCCC1=C(C)CCCC1
InChIInChI=1S/C11H18/c1-3-4-8-11-9-6-5-7-10(11)2/h3H,1,4-9H2,2H3
InChIKeyDHSDRGMEYPCRAI-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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

CID 11463
CID 11463
CID 10104370
CID 10104370
CID 11574
CID 11574
CID 5364452
CID 5364452
CID 5364559
CID 5364559
CID 5364435
CID 5364435
CID 5281519
CID 5281519
CID 5362751
CID 5362751
CID 73937
CID 73937
CID 62346
CID 62346
CID 5358315
CID 5358315
CID 5352437
CID 5352437

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2-methylcyclohexene?
The IUPAC name of 1-but-3-enyl-2-methylcyclohexene (CID 12753767) is 1-but-3-enyl-2-methylcyclohexene.
What is the SMILES notation for 1-but-3-enyl-2-methylcyclohexene?
The canonical SMILES for 1-but-3-enyl-2-methylcyclohexene is C=CCCC1=C(C)CCCC1.
What is the InChIKey of 1-but-3-enyl-2-methylcyclohexene?
The InChIKey is DHSDRGMEYPCRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-4-8-11-9-6-5-7-10(11)2/h3H,1,4-9H2,2H3.
What are the key properties of 1-but-3-enyl-2-methylcyclohexene?
1-but-3-enyl-2-methylcyclohexene has a molecular weight of 150.26 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2-methylcyclohexene is sourced from PubChem (CID 12753767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).