(Z)-5-methyl-2-propan-2-ylhex-2-enoic acid

C10H18O2 — CID 91748019

IUPAC(Z)-5-methyl-2-propan-2-ylhex-2-enoic acid
SMILESCC(C)C/C=C(\C(=O)O)C(C)C
InChIInChI=1S/C10H18O2/c1-7(2)5-6-9(8(3)4)10(11)12/h6-8H,5H2,1-4H3,(H,11,12)/b9-6-
InChIKeyWANQTIICLVGWEJ-TWGQIWQCSA-N
MW170.25 g/mol
LogP2.70
Rot. Bonds4

About (Z)-5-methyl-2-propan-2-ylhex-2-enoic acid

(Z)-5-methyl-2-propan-2-ylhex-2-enoic acid (PubChem CID 91748019) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (Z)-5-methyl-2-propan-2-ylhex-2-enoic acid.

Molecular Properties

Compound Name(Z)-5-methyl-2-propan-2-ylhex-2-enoic acid
PubChem CID91748019
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(Z)-5-methyl-2-propan-2-ylhex-2-enoic acid
SMILESCC(C)C/C=C(\C(=O)O)C(C)C
InChIInChI=1S/C10H18O2/c1-7(2)5-6-9(8(3)4)10(11)12/h6-8H,5H2,1-4H3,(H,11,12)/b9-6-
InChIKeyWANQTIICLVGWEJ-TWGQIWQCSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-2-propan-2-ylhex-2-enoic acid?
The IUPAC name of (Z)-5-methyl-2-propan-2-ylhex-2-enoic acid (CID 91748019) is (Z)-5-methyl-2-propan-2-ylhex-2-enoic acid.
What is the SMILES notation for (Z)-5-methyl-2-propan-2-ylhex-2-enoic acid?
The canonical SMILES for (Z)-5-methyl-2-propan-2-ylhex-2-enoic acid is CC(C)C/C=C(\C(=O)O)C(C)C.
What is the InChIKey of (Z)-5-methyl-2-propan-2-ylhex-2-enoic acid?
The InChIKey is WANQTIICLVGWEJ-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)5-6-9(8(3)4)10(11)12/h6-8H,5H2,1-4H3,(H,11,12)/b9-6-.
What are the key properties of (Z)-5-methyl-2-propan-2-ylhex-2-enoic acid?
(Z)-5-methyl-2-propan-2-ylhex-2-enoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-2-propan-2-ylhex-2-enoic acid is sourced from PubChem (CID 91748019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).