(Z)-3-methylpent-2-ene-1,5-diol

C6H12O2 — CID 12561740

IUPAC(Z)-3-methylpent-2-ene-1,5-diol
SMILESC/C(=C/CO)CCO
InChIInChI=1S/C6H12O2/c1-6(2-4-7)3-5-8/h2,7-8H,3-5H2,1H3/b6-2-
InChIKeyTWUDHDJKTHYMGY-KXFIGUGUSA-N
MW116.16 g/mol
LogP0.31
Rot. Bonds3

About (Z)-3-methylpent-2-ene-1,5-diol

(Z)-3-methylpent-2-ene-1,5-diol (PubChem CID 12561740) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (Z)-3-methylpent-2-ene-1,5-diol.

Molecular Properties

Compound Name(Z)-3-methylpent-2-ene-1,5-diol
PubChem CID12561740
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(Z)-3-methylpent-2-ene-1,5-diol
SMILESC/C(=C/CO)CCO
InChIInChI=1S/C6H12O2/c1-6(2-4-7)3-5-8/h2,7-8H,3-5H2,1H3/b6-2-
InChIKeyTWUDHDJKTHYMGY-KXFIGUGUSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.31
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

3-methylpent-2-ene-1,5-diol;propanoic acid
CID 71447026
(Z)-3-methylhex-3-ene-1,6-diol
CID 129322397
5-amino-3-methylpent-2-en-1-ol
CID 167443308
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
(Z)-3-methylpent-3-en-1-ol
CID 12576400
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(Z)-6-chloro-3-methylhex-2-en-1-ol
CID 55298259
3-methylocta-2,6-dien-1-ol
CID 57183202
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
3-methylhepta-2,5-dien-1-ol
CID 167443292
3-methyldodeca-2,6,10-trien-1-ol
CID 57126192

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylpent-2-ene-1,5-diol?
The IUPAC name of (Z)-3-methylpent-2-ene-1,5-diol (CID 12561740) is (Z)-3-methylpent-2-ene-1,5-diol.
What is the SMILES notation for (Z)-3-methylpent-2-ene-1,5-diol?
The canonical SMILES for (Z)-3-methylpent-2-ene-1,5-diol is C/C(=C/CO)CCO.
What is the InChIKey of (Z)-3-methylpent-2-ene-1,5-diol?
The InChIKey is TWUDHDJKTHYMGY-KXFIGUGUSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2-4-7)3-5-8/h2,7-8H,3-5H2,1H3/b6-2-.
What are the key properties of (Z)-3-methylpent-2-ene-1,5-diol?
(Z)-3-methylpent-2-ene-1,5-diol has a molecular weight of 116.16 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylpent-2-ene-1,5-diol is sourced from PubChem (CID 12561740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).