(3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol

C8H13ClO — CID 139377074

IUPAC(3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol
SMILESC=C/C(Cl)=C(/O)C(C)(C)C
InChIInChI=1S/C8H13ClO/c1-5-6(9)7(10)8(2,3)4/h5,10H,1H2,2-4H3/b7-6-
InChIKeyZSBDKCULWWPPJJ-SREVYHEPSA-N
MW160.64 g/mol
LogP3.23
Rot. Bonds1

About (3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol

(3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol (PubChem CID 139377074) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is (3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol.

Molecular Properties

Compound Name(3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol
PubChem CID139377074
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name(3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol
SMILESC=C/C(Cl)=C(/O)C(C)(C)C
InChIInChI=1S/C8H13ClO/c1-5-6(9)7(10)8(2,3)4/h5,10H,1H2,2-4H3/b7-6-
InChIKeyZSBDKCULWWPPJJ-SREVYHEPSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloropenta-1,3-diene
CID 91053470
(3E)-3,4-dichloropenta-1,3-diene
CID 167302623
3-chloro-4-methylhexa-1,3,5-triene
CID 123411811
2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
chloromethane;chromium;prop-2-enoic acid
CID 174311629
(3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene
CID 170263420
(3Z)-3-chloro-4-nitrohexa-1,3,5-triene;ethane
CID 142091501
(3Z)-2,3,4-trichlorohexa-1,3,5-triene
CID 88891012
ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056
3,4,5-trichloropenta-1,3-diene
CID 174775530
acetic acid;2-chlorobuta-1,3-diene
CID 87071838
(3E)-4-chlorohexa-1,3,5-trien-2-ol
CID 89259712

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol?
The IUPAC name of (3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol (CID 139377074) is (3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol.
What is the SMILES notation for (3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol?
The canonical SMILES for (3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol is C=C/C(Cl)=C(/O)C(C)(C)C.
What is the InChIKey of (3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol?
The InChIKey is ZSBDKCULWWPPJJ-SREVYHEPSA-N. The full InChI is InChI=1S/C8H13ClO/c1-5-6(9)7(10)8(2,3)4/h5,10H,1H2,2-4H3/b7-6-.
What are the key properties of (3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol?
(3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol has a molecular weight of 160.64 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-chloro-2,2-dimethylhexa-3,5-dien-3-ol is sourced from PubChem (CID 139377074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).