(E)-hex-2-en-1-ol;hydrochloride

C6H13ClO — CID 141009996

IUPAC(E)-hex-2-en-1-ol;hydrochloride
SMILESCCC/C=C/CO.Cl
InChIInChI=1S/C6H12O.ClH/c1-2-3-4-5-6-7;/h4-5,7H,2-3,6H2,1H3;1H/b5-4+;
InChIKeyNFNFILGIHDNVOS-FXRZFVDSSA-N
MW136.62 g/mol
LogP1.76
Rot. Bonds3

About (E)-hex-2-en-1-ol;hydrochloride

(E)-hex-2-en-1-ol;hydrochloride (PubChem CID 141009996) has the molecular formula C6H13ClO and a molecular weight of 136.62 g/mol. Its IUPAC name is (E)-hex-2-en-1-ol;hydrochloride.

Molecular Properties

Compound Name(E)-hex-2-en-1-ol;hydrochloride
PubChem CID141009996
Molecular FormulaC6H13ClO
Molecular Weight136.62 g/mol
Exact Mass136.07
IUPAC Name(E)-hex-2-en-1-ol;hydrochloride
SMILESCCC/C=C/CO.Cl
InChIInChI=1S/C6H12O.ClH/c1-2-3-4-5-6-7;/h4-5,7H,2-3,6H2,1H3;1H/b5-4+;
InChIKeyNFNFILGIHDNVOS-FXRZFVDSSA-N
XLogP1.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.62
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,5E)-nona-2,5-dien-1-ol
CID 12773963
acetic acid;(Z)-hex-2-en-1-ol
CID 170839903
(213C)octa-2,6-diene-1,8-diol
CID 57064560
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
octadeca-2,13-dien-1-ol
CID 543270
(2E,13Z)-octadeca-2,13-dien-1-ol
CID 5283306
(11Z)-icosa-2,11-dien-1-ol
CID 173009253
(E)-undec-2-en-1-ol
CID 5365004
(E)-nonadec-2-en-1-ol
CID 10869774
(2E,6E,10E)-tricosa-2,6,10-trien-1-ol
CID 11461788

Frequently Asked Questions

What is the IUPAC name of (E)-hex-2-en-1-ol;hydrochloride?
The IUPAC name of (E)-hex-2-en-1-ol;hydrochloride (CID 141009996) is (E)-hex-2-en-1-ol;hydrochloride.
What is the SMILES notation for (E)-hex-2-en-1-ol;hydrochloride?
The canonical SMILES for (E)-hex-2-en-1-ol;hydrochloride is CCC/C=C/CO.Cl.
What is the InChIKey of (E)-hex-2-en-1-ol;hydrochloride?
The InChIKey is NFNFILGIHDNVOS-FXRZFVDSSA-N. The full InChI is InChI=1S/C6H12O.ClH/c1-2-3-4-5-6-7;/h4-5,7H,2-3,6H2,1H3;1H/b5-4+;.
What are the key properties of (E)-hex-2-en-1-ol;hydrochloride?
(E)-hex-2-en-1-ol;hydrochloride has a molecular weight of 136.62 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-2-en-1-ol;hydrochloride is sourced from PubChem (CID 141009996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).