4-chloro-2-prop-2-enylpent-4-en-1-ol

C8H13ClO — CID 126971964

IUPAC4-chloro-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CO)CC(=C)Cl
InChIInChI=1S/C8H13ClO/c1-3-4-8(6-10)5-7(2)9/h3,8,10H,1-2,4-6H2
InChIKeyAHODTQNIKCULHH-UHFFFAOYSA-N
MW160.64 g/mol
LogP2.31
Rot. Bonds5

About 4-chloro-2-prop-2-enylpent-4-en-1-ol

4-chloro-2-prop-2-enylpent-4-en-1-ol (PubChem CID 126971964) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is 4-chloro-2-prop-2-enylpent-4-en-1-ol.

Molecular Properties

Compound Name4-chloro-2-prop-2-enylpent-4-en-1-ol
PubChem CID126971964
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name4-chloro-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CO)CC(=C)Cl
InChIInChI=1S/C8H13ClO/c1-3-4-8(6-10)5-7(2)9/h3,8,10H,1-2,4-6H2
InChIKeyAHODTQNIKCULHH-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 52.31
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

2-prop-2-enylpent-4-en-1-ol
CID 14895210
2-propylpent-4-en-1-ol
CID 15525342
(2R)-2-propylpent-4-en-1-ol
CID 102443891
3-(iodomethyl)hex-5-enoyl chloride
CID 87126318
CID 174331944
CID 174331944
benzyl (3R)-3-(hydroxymethyl)hex-5-enoate
CID 58474144
2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol
CID 88611425
4-(2-methylpropyl)hepta-1,6-dien-2-amine
CID 138535342
2-(phenoxymethyl)pent-4-en-1-ol
CID 15525340
CID 25267224
CID 25267224
methanol;(2S)-2-methylpent-4-en-1-ol
CID 143099829
2-prop-2-enylpropane-1,1,3-triol
CID 87898670

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-prop-2-enylpent-4-en-1-ol?
The IUPAC name of 4-chloro-2-prop-2-enylpent-4-en-1-ol (CID 126971964) is 4-chloro-2-prop-2-enylpent-4-en-1-ol.
What is the SMILES notation for 4-chloro-2-prop-2-enylpent-4-en-1-ol?
The canonical SMILES for 4-chloro-2-prop-2-enylpent-4-en-1-ol is C=CCC(CO)CC(=C)Cl.
What is the InChIKey of 4-chloro-2-prop-2-enylpent-4-en-1-ol?
The InChIKey is AHODTQNIKCULHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO/c1-3-4-8(6-10)5-7(2)9/h3,8,10H,1-2,4-6H2.
What are the key properties of 4-chloro-2-prop-2-enylpent-4-en-1-ol?
4-chloro-2-prop-2-enylpent-4-en-1-ol has a molecular weight of 160.64 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-prop-2-enylpent-4-en-1-ol is sourced from PubChem (CID 126971964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).