(Z)-4-chloro-6,6-dimethylhept-3-enoic acid

C9H15ClO2 — CID 13350528

IUPAC(Z)-4-chloro-6,6-dimethylhept-3-enoic acid
SMILESCC(C)(C)C/C(Cl)=C/CC(=O)O
InChIInChI=1S/C9H15ClO2/c1-9(2,3)6-7(10)4-5-8(11)12/h4H,5-6H2,1-3H3,(H,11,12)/b7-4-
InChIKeyKHJSASIWIHPWLG-DAXSKMNVSA-N
MW190.67 g/mol
LogP3.02
Rot. Bonds3

About (Z)-4-chloro-6,6-dimethylhept-3-enoic acid

(Z)-4-chloro-6,6-dimethylhept-3-enoic acid (PubChem CID 13350528) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is (Z)-4-chloro-6,6-dimethylhept-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-chloro-6,6-dimethylhept-3-enoic acid
PubChem CID13350528
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Name(Z)-4-chloro-6,6-dimethylhept-3-enoic acid
SMILESCC(C)(C)C/C(Cl)=C/CC(=O)O
InChIInChI=1S/C9H15ClO2/c1-9(2,3)6-7(10)4-5-8(11)12/h4H,5-6H2,1-3H3,(H,11,12)/b7-4-
InChIKeyKHJSASIWIHPWLG-DAXSKMNVSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-chloro-6,6-dimethylhept-3-enoic acid?
The IUPAC name of (Z)-4-chloro-6,6-dimethylhept-3-enoic acid (CID 13350528) is (Z)-4-chloro-6,6-dimethylhept-3-enoic acid.
What is the SMILES notation for (Z)-4-chloro-6,6-dimethylhept-3-enoic acid?
The canonical SMILES for (Z)-4-chloro-6,6-dimethylhept-3-enoic acid is CC(C)(C)C/C(Cl)=C/CC(=O)O.
What is the InChIKey of (Z)-4-chloro-6,6-dimethylhept-3-enoic acid?
The InChIKey is KHJSASIWIHPWLG-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H15ClO2/c1-9(2,3)6-7(10)4-5-8(11)12/h4H,5-6H2,1-3H3,(H,11,12)/b7-4-.
What are the key properties of (Z)-4-chloro-6,6-dimethylhept-3-enoic acid?
(Z)-4-chloro-6,6-dimethylhept-3-enoic acid has a molecular weight of 190.67 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-chloro-6,6-dimethylhept-3-enoic acid is sourced from PubChem (CID 13350528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).