(4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol

C7H11ClO — CID 126763646

IUPAC(4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol
SMILESCC(C)=C(O)/C=C\CCl
InChIInChI=1S/C7H11ClO/c1-6(2)7(9)4-3-5-8/h3-4,9H,5H2,1-2H3/b4-3-
InChIKeyMKDZLFSNLFAHQR-ARJAWSKDSA-N
MW146.62 g/mol
LogP2.63
Rot. Bonds2

About (4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol

(4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol (PubChem CID 126763646) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is (4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol.

Molecular Properties

Compound Name(4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol
PubChem CID126763646
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name(4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol
SMILESCC(C)=C(O)/C=C\CCl
InChIInChI=1S/C7H11ClO/c1-6(2)7(9)4-3-5-8/h3-4,9H,5H2,1-2H3/b4-3-
InChIKeyMKDZLFSNLFAHQR-ARJAWSKDSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2,7-dimethylocta-2,4,6-triene-3,6-diol
CID 71330443
(E)-4-chlorobut-2-enoyl chloride
CID 10396911
N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide
CID 142119428
(2Z,4E)-1,3,6-trichlorohexa-2,4-diene
CID 102247627
6-methylhepta-3,5-diene-1,2,5-triol
CID 173348804
(6-chloro-3-methylhexa-2,4-dienyl) acetate
CID 156769956
ethyl 4-chlorobut-2-enoate
CID 71354151
CID 90071398
CID 90071398
2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene
CID 139662029
N-[(E)-4-chlorobut-2-enyl]-3-methylbut-2-en-1-amine
CID 106188446
(3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene
CID 143227932
N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide
CID 143225748

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol?
The IUPAC name of (4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol (CID 126763646) is (4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol.
What is the SMILES notation for (4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol?
The canonical SMILES for (4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol is CC(C)=C(O)/C=C\CCl.
What is the InChIKey of (4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol?
The InChIKey is MKDZLFSNLFAHQR-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H11ClO/c1-6(2)7(9)4-3-5-8/h3-4,9H,5H2,1-2H3/b4-3-.
What are the key properties of (4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol?
(4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol has a molecular weight of 146.62 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol is sourced from PubChem (CID 126763646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).