(1Z)-2,3-dimethylbuta-1,3-dien-1-ol

C6H10O — CID 143116210

IUPAC(1Z)-2,3-dimethylbuta-1,3-dien-1-ol
SMILESC=C(C)/C(C)=C\O
InChIInChI=1S/C6H10O/c1-5(2)6(3)4-7/h4,7H,1H2,2-3H3/b6-4-
InChIKeyXPNFMALLOHGDAE-XQRVVYSFSA-N
MW98.14 g/mol
LogP2.02
Rot. Bonds1

About (1Z)-2,3-dimethylbuta-1,3-dien-1-ol

(1Z)-2,3-dimethylbuta-1,3-dien-1-ol (PubChem CID 143116210) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (1Z)-2,3-dimethylbuta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1Z)-2,3-dimethylbuta-1,3-dien-1-ol
PubChem CID143116210
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(1Z)-2,3-dimethylbuta-1,3-dien-1-ol
SMILESC=C(C)/C(C)=C\O
InChIInChI=1S/C6H10O/c1-5(2)6(3)4-7/h4,7H,1H2,2-3H3/b6-4-
InChIKeyXPNFMALLOHGDAE-XQRVVYSFSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,3,5-trimethylhexa-1,3-diene
CID 572950
(3E)-4,5-dimethylhexa-1,3,5-triene-2-thiol
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2,3-dimethylbuta-1,3-dienylboronic acid
CID 58956895
2-bromoprop-1-en-1-ol
CID 71347780
1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene
CID 23421012
(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane
CID 143320084
(1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
CID 58730070
(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 163402512
sodium (Z)-4-hydroxy-3-methylbut-3-en-2-one
CID 167577221
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363501

Frequently Asked Questions

What is the IUPAC name of (1Z)-2,3-dimethylbuta-1,3-dien-1-ol?
The IUPAC name of (1Z)-2,3-dimethylbuta-1,3-dien-1-ol (CID 143116210) is (1Z)-2,3-dimethylbuta-1,3-dien-1-ol.
What is the SMILES notation for (1Z)-2,3-dimethylbuta-1,3-dien-1-ol?
The canonical SMILES for (1Z)-2,3-dimethylbuta-1,3-dien-1-ol is C=C(C)/C(C)=C\O.
What is the InChIKey of (1Z)-2,3-dimethylbuta-1,3-dien-1-ol?
The InChIKey is XPNFMALLOHGDAE-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H10O/c1-5(2)6(3)4-7/h4,7H,1H2,2-3H3/b6-4-.
What are the key properties of (1Z)-2,3-dimethylbuta-1,3-dien-1-ol?
(1Z)-2,3-dimethylbuta-1,3-dien-1-ol has a molecular weight of 98.14 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2,3-dimethylbuta-1,3-dien-1-ol is sourced from PubChem (CID 143116210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).