(2E)-2-methylpenta-2,4-diene-1,1-diol

C6H10O2 — CID 142275116

IUPAC(2E)-2-methylpenta-2,4-diene-1,1-diol
SMILESC=C/C=C(\C)C(O)O
InChIInChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-4,6-8H,1H2,2H3/b5-4+
InChIKeyDKTNIVRUUCDUBC-SNAWJCMRSA-N
MW114.14 g/mol
LogP0.43
Rot. Bonds2

About (2E)-2-methylpenta-2,4-diene-1,1-diol

(2E)-2-methylpenta-2,4-diene-1,1-diol (PubChem CID 142275116) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2E)-2-methylpenta-2,4-diene-1,1-diol.

Molecular Properties

Compound Name(2E)-2-methylpenta-2,4-diene-1,1-diol
PubChem CID142275116
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2E)-2-methylpenta-2,4-diene-1,1-diol
SMILESC=C/C=C(\C)C(O)O
InChIInChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-4,6-8H,1H2,2H3/b5-4+
InChIKeyDKTNIVRUUCDUBC-SNAWJCMRSA-N
XLogP0.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol
CID 134266797
4-propan-2-yloxypenta-1,3-diene
CID 123824588
(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
CID 167020251
(3E,6E)-4,5-dimethylocta-1,3,6-triene
CID 12533133
(2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid
CID 153456154
(3E)-4,5,7-trimethylocta-1,3,7-triene
CID 178162808
butane;(3E)-4-methoxypenta-1,3-diene
CID 142879851
(3E,5S)-4-methyl-5-propan-2-ylsulfanylhepta-1,3-diene
CID 58597093
(3E)-3-iodo-2-methylhexa-1,3,5-triene
CID 122592605
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
CID 167471627

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methylpenta-2,4-diene-1,1-diol?
The IUPAC name of (2E)-2-methylpenta-2,4-diene-1,1-diol (CID 142275116) is (2E)-2-methylpenta-2,4-diene-1,1-diol.
What is the SMILES notation for (2E)-2-methylpenta-2,4-diene-1,1-diol?
The canonical SMILES for (2E)-2-methylpenta-2,4-diene-1,1-diol is C=C/C=C(\C)C(O)O.
What is the InChIKey of (2E)-2-methylpenta-2,4-diene-1,1-diol?
The InChIKey is DKTNIVRUUCDUBC-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-4,6-8H,1H2,2H3/b5-4+.
What are the key properties of (2E)-2-methylpenta-2,4-diene-1,1-diol?
(2E)-2-methylpenta-2,4-diene-1,1-diol has a molecular weight of 114.14 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methylpenta-2,4-diene-1,1-diol is sourced from PubChem (CID 142275116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).