(5-chloro-2-methylidenecyclohexyl)methylbenzene

C14H17Cl — CID 90796633

IUPAC(5-chloro-2-methylidenecyclohexyl)methylbenzene
SMILESC=C1CCC(Cl)CC1Cc1ccccc1
InChIInChI=1S/C14H17Cl/c1-11-7-8-14(15)10-13(11)9-12-5-3-2-4-6-12/h2-6,13-14H,1,7-10H2
InChIKeyNCIQWVVZJAGESD-UHFFFAOYSA-N
MW220.74 g/mol
LogP4.19
Rot. Bonds2

About (5-chloro-2-methylidenecyclohexyl)methylbenzene

(5-chloro-2-methylidenecyclohexyl)methylbenzene (PubChem CID 90796633) has the molecular formula C14H17Cl and a molecular weight of 220.74 g/mol. Its IUPAC name is (5-chloro-2-methylidenecyclohexyl)methylbenzene.

Molecular Properties

Compound Name(5-chloro-2-methylidenecyclohexyl)methylbenzene
PubChem CID90796633
Molecular FormulaC14H17Cl
Molecular Weight220.74 g/mol
Exact Mass220.10
IUPAC Name(5-chloro-2-methylidenecyclohexyl)methylbenzene
SMILESC=C1CCC(Cl)CC1Cc1ccccc1
InChIInChI=1S/C14H17Cl/c1-11-7-8-14(15)10-13(11)9-12-5-3-2-4-6-12/h2-6,13-14H,1,7-10H2
InChIKeyNCIQWVVZJAGESD-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylidenecyclohexyl)methylbenzene?
The IUPAC name of (5-chloro-2-methylidenecyclohexyl)methylbenzene (CID 90796633) is (5-chloro-2-methylidenecyclohexyl)methylbenzene.
What is the SMILES notation for (5-chloro-2-methylidenecyclohexyl)methylbenzene?
The canonical SMILES for (5-chloro-2-methylidenecyclohexyl)methylbenzene is C=C1CCC(Cl)CC1Cc1ccccc1.
What is the InChIKey of (5-chloro-2-methylidenecyclohexyl)methylbenzene?
The InChIKey is NCIQWVVZJAGESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl/c1-11-7-8-14(15)10-13(11)9-12-5-3-2-4-6-12/h2-6,13-14H,1,7-10H2.
What are the key properties of (5-chloro-2-methylidenecyclohexyl)methylbenzene?
(5-chloro-2-methylidenecyclohexyl)methylbenzene has a molecular weight of 220.74 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylidenecyclohexyl)methylbenzene is sourced from PubChem (CID 90796633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).