(Z)-16-chlorohexadec-3-en-1-ol

C16H31ClO — CID 163204745

IUPAC(Z)-16-chlorohexadec-3-en-1-ol
SMILESOCC/C=C\CCCCCCCCCCCCCl
InChIInChI=1S/C16H31ClO/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h10,12,18H,1-9,11,13-16H2/b12-10-
InChIKeyIUTWJZPDCJIDHD-BENRWUELSA-N
MW274.88 g/mol
LogP5.45
Rot. Bonds14

About (Z)-16-chlorohexadec-3-en-1-ol

(Z)-16-chlorohexadec-3-en-1-ol (PubChem CID 163204745) has the molecular formula C16H31ClO and a molecular weight of 274.88 g/mol. Its IUPAC name is (Z)-16-chlorohexadec-3-en-1-ol.

Molecular Properties

Compound Name(Z)-16-chlorohexadec-3-en-1-ol
PubChem CID163204745
Molecular FormulaC16H31ClO
Molecular Weight274.88 g/mol
Exact Mass274.21
IUPAC Name(Z)-16-chlorohexadec-3-en-1-ol
SMILESOCC/C=C\CCCCCCCCCCCCCl
InChIInChI=1S/C16H31ClO/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h10,12,18H,1-9,11,13-16H2/b12-10-
InChIKeyIUTWJZPDCJIDHD-BENRWUELSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.88
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-13-chlorotridec-3-en-1-ol
CID 163204990
1,17-dichloroheptadec-8-ene
CID 168864753
(E)-1,10-dichlorodec-5-ene
CID 12889943
1,12-dichlorododec-2-ene
CID 171472140
(E)-1-chloroheptadec-7-ene
CID 5364485
(Z)-12-bromododec-3-en-1-ol
CID 163205087
heptadec-3-en-1-ol
CID 86130004
(E)-12-iodododec-3-en-1-ol
CID 163205046
(E)-17-bromoheptadec-3-en-1-ol
CID 163204836
(Z)-14-fluorotetradec-3-en-1-ol
CID 86739508
(Z)-10-chlorodec-4-ene
CID 14373086
1-chlorooctadec-9-ene
CID 558046

Frequently Asked Questions

What is the IUPAC name of (Z)-16-chlorohexadec-3-en-1-ol?
The IUPAC name of (Z)-16-chlorohexadec-3-en-1-ol (CID 163204745) is (Z)-16-chlorohexadec-3-en-1-ol.
What is the SMILES notation for (Z)-16-chlorohexadec-3-en-1-ol?
The canonical SMILES for (Z)-16-chlorohexadec-3-en-1-ol is OCC/C=C\CCCCCCCCCCCCCl.
What is the InChIKey of (Z)-16-chlorohexadec-3-en-1-ol?
The InChIKey is IUTWJZPDCJIDHD-BENRWUELSA-N. The full InChI is InChI=1S/C16H31ClO/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h10,12,18H,1-9,11,13-16H2/b12-10-.
What are the key properties of (Z)-16-chlorohexadec-3-en-1-ol?
(Z)-16-chlorohexadec-3-en-1-ol has a molecular weight of 274.88 g/mol, XLogP of 5.45, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-16-chlorohexadec-3-en-1-ol is sourced from PubChem (CID 163204745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).