4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride

C14H25ClO — CID 70187484

IUPAC4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride
SMILESCl.OC1CCC=C(CC2CCCCC2)CC1
InChIInChI=1S/C14H24O.ClH/c15-14-8-4-7-13(9-10-14)11-12-5-2-1-3-6-12;/h7,12,14-15H,1-6,8-11H2;1H
InChIKeyPQJLQIWFLCNSMA-UHFFFAOYSA-N
MW244.81 g/mol
LogP4.24
Rot. Bonds2

About 4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride

4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride (PubChem CID 70187484) has the molecular formula C14H25ClO and a molecular weight of 244.81 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride
PubChem CID70187484
Molecular FormulaC14H25ClO
Molecular Weight244.81 g/mol
Exact Mass244.16
IUPAC Name4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride
SMILESCl.OC1CCC=C(CC2CCCCC2)CC1
InChIInChI=1S/C14H24O.ClH/c15-14-8-4-7-13(9-10-14)11-12-5-2-1-3-6-12;/h7,12,14-15H,1-6,8-11H2;1H
InChIKeyPQJLQIWFLCNSMA-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride?
The IUPAC name of 4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride (CID 70187484) is 4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride.
What is the SMILES notation for 4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride?
The canonical SMILES for 4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride is Cl.OC1CCC=C(CC2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride?
The InChIKey is PQJLQIWFLCNSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O.ClH/c15-14-8-4-7-13(9-10-14)11-12-5-2-1-3-6-12;/h7,12,14-15H,1-6,8-11H2;1H.
What are the key properties of 4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride?
4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride has a molecular weight of 244.81 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)cyclohept-4-en-1-ol;hydrochloride is sourced from PubChem (CID 70187484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).