(2S)-1-chlorohept-6-en-2-ol

C7H13ClO — CID 46188476

IUPAC(2S)-1-chlorohept-6-en-2-ol
SMILESC=CCCC[C@H](O)CCl
InChIInChI=1S/C7H13ClO/c1-2-3-4-5-7(9)6-8/h2,7,9H,1,3-6H2/t7-/m0/s1
InChIKeyZAKAEDFORLEPPH-ZETCQYMHSA-N
MW148.63 g/mol
LogP1.94
Rot. Bonds5

About (2S)-1-chlorohept-6-en-2-ol

(2S)-1-chlorohept-6-en-2-ol (PubChem CID 46188476) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is (2S)-1-chlorohept-6-en-2-ol.

Molecular Properties

Compound Name(2S)-1-chlorohept-6-en-2-ol
PubChem CID46188476
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name(2S)-1-chlorohept-6-en-2-ol
SMILESC=CCCC[C@H](O)CCl
InChIInChI=1S/C7H13ClO/c1-2-3-4-5-7(9)6-8/h2,7,9H,1,3-6H2/t7-/m0/s1
InChIKeyZAKAEDFORLEPPH-ZETCQYMHSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 51.94
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

1-Chlorohex-5-en-2-ol
CID 14680122
(R)-1-Chloropent-4-EN-2-OL
CID 10887888
1-Chloropent-4-en-2-ol
CID 10997019
(S)-1-Chloropent-4-EN-2-OL
CID 39058344
1-Chlorohept-6-en-2-ol
CID 55298561
4-Chloro-1-hexen-5-ol
CID 129783194
(1R,4Z,8R)-8-chlorocyclooct-4-en-1-ol
CID 13683413
1-Chloro-5-methylhex-5-en-2-ol
CID 14680125
7-Chlorohept-1-en-3-ol
CID 55303772
1,1-Dichlorohept-6-en-3-ol
CID 129924021
1-Chloro-1,1-difluorohept-6-en-2-ol
CID 112575412
(2S)-1-chlorooct-7-en-2-ol
CID 130722358

Frequently Asked Questions

What is the IUPAC name of (2S)-1-chlorohept-6-en-2-ol?
The IUPAC name of (2S)-1-chlorohept-6-en-2-ol (CID 46188476) is (2S)-1-chlorohept-6-en-2-ol.
What is the SMILES notation for (2S)-1-chlorohept-6-en-2-ol?
The canonical SMILES for (2S)-1-chlorohept-6-en-2-ol is C=CCCC[C@H](O)CCl.
What is the InChIKey of (2S)-1-chlorohept-6-en-2-ol?
The InChIKey is ZAKAEDFORLEPPH-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13ClO/c1-2-3-4-5-7(9)6-8/h2,7,9H,1,3-6H2/t7-/m0/s1.
What are the key properties of (2S)-1-chlorohept-6-en-2-ol?
(2S)-1-chlorohept-6-en-2-ol has a molecular weight of 148.63 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-chlorohept-6-en-2-ol is sourced from PubChem (CID 46188476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).