1-chloro-3-methylidenecyclohexane

C7H11Cl — CID 23528892

IUPAC1-chloro-3-methylidenecyclohexane
SMILESC=C1CCCC(Cl)C1
InChIInChI=1S/C7H11Cl/c1-6-3-2-4-7(8)5-6/h7H,1-5H2
InChIKeyUGGHFSMBNPTDJV-UHFFFAOYSA-N
MW130.62 g/mol
LogP2.72
Rot. Bonds

About 1-chloro-3-methylidenecyclohexane

1-chloro-3-methylidenecyclohexane (PubChem CID 23528892) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 1-chloro-3-methylidenecyclohexane.

Molecular Properties

Compound Name1-chloro-3-methylidenecyclohexane
PubChem CID23528892
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name1-chloro-3-methylidenecyclohexane
SMILESC=C1CCCC(Cl)C1
InChIInChI=1S/C7H11Cl/c1-6-3-2-4-7(8)5-6/h7H,1-5H2
InChIKeyUGGHFSMBNPTDJV-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-3-methylidenecyclohexane
CID 146681743
3-methylidenecyclohexan-1-amine
CID 67574918
3-methylidenecyclohexan-1-ol
CID 13244819
[(1S)-3-methylidenecyclohexyl]methanamine
CID 101199300
(1S)-1-tert-butyl-3-methylidenecyclohexane
CID 161355600
CID 59805454
CID 59805454
3-chloro-N-methoxycyclohexan-1-imine
CID 174599661
N-methyl-N-(3-methylidenecyclohexyl)acetamide
CID 90986487
1-bromo-2-chloro-4-methylidenecyclohexane
CID 91109403
1-ethylsulfanyl-3-methylidenecyclohexane
CID 86130259
(3-methylidenecyclohexyl) propanoate
CID 165014730
(3-methylidenecyclohexyl)methylurea
CID 90981643

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylidenecyclohexane?
The IUPAC name of 1-chloro-3-methylidenecyclohexane (CID 23528892) is 1-chloro-3-methylidenecyclohexane.
What is the SMILES notation for 1-chloro-3-methylidenecyclohexane?
The canonical SMILES for 1-chloro-3-methylidenecyclohexane is C=C1CCCC(Cl)C1.
What is the InChIKey of 1-chloro-3-methylidenecyclohexane?
The InChIKey is UGGHFSMBNPTDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c1-6-3-2-4-7(8)5-6/h7H,1-5H2.
What are the key properties of 1-chloro-3-methylidenecyclohexane?
1-chloro-3-methylidenecyclohexane has a molecular weight of 130.62 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylidenecyclohexane is sourced from PubChem (CID 23528892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).