(Z)-2-chloro-1-cyclohexylundec-1-en-3-ol

C17H31ClO — CID 101113477

IUPAC(Z)-2-chloro-1-cyclohexylundec-1-en-3-ol
SMILESCCCCCCCCC(O)/C(Cl)=C/C1CCCCC1
InChIInChI=1S/C17H31ClO/c1-2-3-4-5-6-10-13-17(19)16(18)14-15-11-8-7-9-12-15/h14-15,17,19H,2-13H2,1H3/b16-14-
InChIKeyPVFHAGQPWRWIBH-PEZBUJJGSA-N
MW286.89 g/mol
LogP5.80
Rot. Bonds9

About (Z)-2-chloro-1-cyclohexylundec-1-en-3-ol

(Z)-2-chloro-1-cyclohexylundec-1-en-3-ol (PubChem CID 101113477) has the molecular formula C17H31ClO and a molecular weight of 286.89 g/mol. Its IUPAC name is (Z)-2-chloro-1-cyclohexylundec-1-en-3-ol.

Molecular Properties

Compound Name(Z)-2-chloro-1-cyclohexylundec-1-en-3-ol
PubChem CID101113477
Molecular FormulaC17H31ClO
Molecular Weight286.89 g/mol
Exact Mass286.21
IUPAC Name(Z)-2-chloro-1-cyclohexylundec-1-en-3-ol
SMILESCCCCCCCCC(O)/C(Cl)=C/C1CCCCC1
InChIInChI=1S/C17H31ClO/c1-2-3-4-5-6-10-13-17(19)16(18)14-15-11-8-7-9-12-15/h14-15,17,19H,2-13H2,1H3/b16-14-
InChIKeyPVFHAGQPWRWIBH-PEZBUJJGSA-N
XLogP5.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.89
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-1-cyclohexylundec-1-en-3-ol?
The IUPAC name of (Z)-2-chloro-1-cyclohexylundec-1-en-3-ol (CID 101113477) is (Z)-2-chloro-1-cyclohexylundec-1-en-3-ol.
What is the SMILES notation for (Z)-2-chloro-1-cyclohexylundec-1-en-3-ol?
The canonical SMILES for (Z)-2-chloro-1-cyclohexylundec-1-en-3-ol is CCCCCCCCC(O)/C(Cl)=C/C1CCCCC1.
What is the InChIKey of (Z)-2-chloro-1-cyclohexylundec-1-en-3-ol?
The InChIKey is PVFHAGQPWRWIBH-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H31ClO/c1-2-3-4-5-6-10-13-17(19)16(18)14-15-11-8-7-9-12-15/h14-15,17,19H,2-13H2,1H3/b16-14-.
What are the key properties of (Z)-2-chloro-1-cyclohexylundec-1-en-3-ol?
(Z)-2-chloro-1-cyclohexylundec-1-en-3-ol has a molecular weight of 286.89 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-1-cyclohexylundec-1-en-3-ol is sourced from PubChem (CID 101113477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).