8-chlorooct-7-en-1-ol

C8H15ClO — CID 57208021

IUPAC8-chlorooct-7-en-1-ol
SMILESOCCCCCCC=CCl
InChIInChI=1S/C8H15ClO/c9-7-5-3-1-2-4-6-8-10/h5,7,10H,1-4,6,8H2
InChIKeySXMBXXXBAKZJQD-UHFFFAOYSA-N
MW162.66 g/mol
LogP2.68
Rot. Bonds6

About 8-chlorooct-7-en-1-ol

8-chlorooct-7-en-1-ol (PubChem CID 57208021) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is 8-chlorooct-7-en-1-ol.

Molecular Properties

Compound Name8-chlorooct-7-en-1-ol
PubChem CID57208021
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name8-chlorooct-7-en-1-ol
SMILESOCCCCCCC=CCl
InChIInChI=1S/C8H15ClO/c9-7-5-3-1-2-4-6-8-10/h5,7,10H,1-4,6,8H2
InChIKeySXMBXXXBAKZJQD-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.68
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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Related Compounds

hexadec-8-ene-1,16-diol
CID 54395986
(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
(E)-hexadec-1-ene-1,16-diol
CID 57427575
heptadec-1-ene-1,17-diol
CID 142730253
(Z)-undec-7-en-1-ol
CID 93484782
(E)-hexadec-12-en-1-ol
CID 6431319
sodium;(E)-hept-1-ene-1,7-diol;hydride
CID 174548415
1-chloro-9-fluoronon-1-ene
CID 175497704
(E)-1-chlorododec-1-ene
CID 6438318
(10Z)-hexadeca-10,12-dien-1-ol
CID 87450795
(E)-undec-8-en-1-ol
CID 6366560
(E)-docos-9-en-1-ol
CID 23502502

Frequently Asked Questions

What is the IUPAC name of 8-chlorooct-7-en-1-ol?
The IUPAC name of 8-chlorooct-7-en-1-ol (CID 57208021) is 8-chlorooct-7-en-1-ol.
What is the SMILES notation for 8-chlorooct-7-en-1-ol?
The canonical SMILES for 8-chlorooct-7-en-1-ol is OCCCCCCC=CCl.
What is the InChIKey of 8-chlorooct-7-en-1-ol?
The InChIKey is SXMBXXXBAKZJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO/c9-7-5-3-1-2-4-6-8-10/h5,7,10H,1-4,6,8H2.
What are the key properties of 8-chlorooct-7-en-1-ol?
8-chlorooct-7-en-1-ol has a molecular weight of 162.66 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorooct-7-en-1-ol is sourced from PubChem (CID 57208021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).