(1E)-1-(3-chloropropylidene)-2-methylcyclohexane

C10H17Cl — CID 131357173

IUPAC(1E)-1-(3-chloropropylidene)-2-methylcyclohexane
SMILESCC1CCCC/C1=C\CCCl
InChIInChI=1S/C10H17Cl/c1-9-5-2-3-6-10(9)7-4-8-11/h7,9H,2-6,8H2,1H3/b10-7+
InChIKeyBZIOYSNUDKNMLR-JXMROGBWSA-N
MW172.70 g/mol
LogP3.75
Rot. Bonds2

About (1E)-1-(3-chloropropylidene)-2-methylcyclohexane

(1E)-1-(3-chloropropylidene)-2-methylcyclohexane (PubChem CID 131357173) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is (1E)-1-(3-chloropropylidene)-2-methylcyclohexane.

Molecular Properties

Compound Name(1E)-1-(3-chloropropylidene)-2-methylcyclohexane
PubChem CID131357173
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name(1E)-1-(3-chloropropylidene)-2-methylcyclohexane
SMILESCC1CCCC/C1=C\CCCl
InChIInChI=1S/C10H17Cl/c1-9-5-2-3-6-10(9)7-4-8-11/h7,9H,2-6,8H2,1H3/b10-7+
InChIKeyBZIOYSNUDKNMLR-JXMROGBWSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 53.75
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-methyl-2-nonylidenecyclopentane
CID 123463809
(1E,2S)-1-ethylidene-2-methylcyclohexane
CID 148695286
2-ethyl-1,5-dimethyl-6-propylidenecyclodecane
CID 123384032
(2E)-2-[(2S)-2-methylcyclohexylidene]acetonitrile
CID 98172997
1-methyl-2-(2-methylpropylidene)cycloheptane
CID 134902820
(2E)-2-[(2S)-2-methylcyclohexylidene]acetic acid
CID 12956886
3-chloropropylidenecyclobutane
CID 156801876
hydron;(2E)-2-(2-methylcyclopentylidene)ethanimine
CID 102271864
(E)-12-(2-methylcyclopentylidene)dodec-9-enoic acid
CID 140565171
3-(2,7-dimethylcycloheptylidene)propanal
CID 71395974
1-methyl-2-[(2-methylcyclohexylidene)methylidene]cyclohexane
CID 57098775
1-methyl-2,3-dimethylidenecycloheptane
CID 20744103

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(3-chloropropylidene)-2-methylcyclohexane?
The IUPAC name of (1E)-1-(3-chloropropylidene)-2-methylcyclohexane (CID 131357173) is (1E)-1-(3-chloropropylidene)-2-methylcyclohexane.
What is the SMILES notation for (1E)-1-(3-chloropropylidene)-2-methylcyclohexane?
The canonical SMILES for (1E)-1-(3-chloropropylidene)-2-methylcyclohexane is CC1CCCC/C1=C\CCCl.
What is the InChIKey of (1E)-1-(3-chloropropylidene)-2-methylcyclohexane?
The InChIKey is BZIOYSNUDKNMLR-JXMROGBWSA-N. The full InChI is InChI=1S/C10H17Cl/c1-9-5-2-3-6-10(9)7-4-8-11/h7,9H,2-6,8H2,1H3/b10-7+.
What are the key properties of (1E)-1-(3-chloropropylidene)-2-methylcyclohexane?
(1E)-1-(3-chloropropylidene)-2-methylcyclohexane has a molecular weight of 172.70 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(3-chloropropylidene)-2-methylcyclohexane is sourced from PubChem (CID 131357173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).