(Z)-7-hydroxy-5-methylhept-4-enoic acid

C8H14O3 — CID 175085361

IUPAC(Z)-7-hydroxy-5-methylhept-4-enoic acid
SMILESC/C(=C/CCC(=O)O)CCO
InChIInChI=1S/C8H14O3/c1-7(5-6-9)3-2-4-8(10)11/h3,9H,2,4-6H2,1H3,(H,10,11)/b7-3-
InChIKeyGLYBJYUSAPCYBR-CLTKARDFSA-N
MW158.20 g/mol
LogP1.18
Rot. Bonds5

About (Z)-7-hydroxy-5-methylhept-4-enoic acid

(Z)-7-hydroxy-5-methylhept-4-enoic acid (PubChem CID 175085361) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (Z)-7-hydroxy-5-methylhept-4-enoic acid.

Molecular Properties

Compound Name(Z)-7-hydroxy-5-methylhept-4-enoic acid
PubChem CID175085361
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(Z)-7-hydroxy-5-methylhept-4-enoic acid
SMILESC/C(=C/CCC(=O)O)CCO
InChIInChI=1S/C8H14O3/c1-7(5-6-9)3-2-4-8(10)11/h3,9H,2,4-6H2,1H3,(H,10,11)/b7-3-
InChIKeyGLYBJYUSAPCYBR-CLTKARDFSA-N
XLogP1.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(E)-5-methylhept-4-enoic acid
CID 83694352
(Z)-3-methylhex-3-ene-1,6-diol
CID 129322397
3-methylpent-2-ene-1,5-diol;propanoic acid
CID 71447026
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
9-hydroxy-3,7-dimethylnona-3,7-dienoic acid
CID 54505470
13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid
CID 173462610
acetic acid;5,9-dimethyldeca-4,8-dien-1-ol
CID 71328241
(E)-8-hydroxy-5-methyloct-5-en-2-one
CID 102321147
(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874

Frequently Asked Questions

What is the IUPAC name of (Z)-7-hydroxy-5-methylhept-4-enoic acid?
The IUPAC name of (Z)-7-hydroxy-5-methylhept-4-enoic acid (CID 175085361) is (Z)-7-hydroxy-5-methylhept-4-enoic acid.
What is the SMILES notation for (Z)-7-hydroxy-5-methylhept-4-enoic acid?
The canonical SMILES for (Z)-7-hydroxy-5-methylhept-4-enoic acid is C/C(=C/CCC(=O)O)CCO.
What is the InChIKey of (Z)-7-hydroxy-5-methylhept-4-enoic acid?
The InChIKey is GLYBJYUSAPCYBR-CLTKARDFSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(5-6-9)3-2-4-8(10)11/h3,9H,2,4-6H2,1H3,(H,10,11)/b7-3-.
What are the key properties of (Z)-7-hydroxy-5-methylhept-4-enoic acid?
(Z)-7-hydroxy-5-methylhept-4-enoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-hydroxy-5-methylhept-4-enoic acid is sourced from PubChem (CID 175085361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).