carbonic acid;2-ethylbut-3-en-1-ol

C7H14O4 — CID 159522260

IUPACcarbonic acid;2-ethylbut-3-en-1-ol
SMILESC=CC(CC)CO.O=C(O)O
InChIInChI=1S/C6H12O.CH2O3/c1-3-6(4-2)5-7;2-1(3)4/h3,6-7H,1,4-5H2,2H3;(H2,2,3,4)
InChIKeyMBYJZTMMDSGVQU-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.41
Rot. Bonds3

About carbonic acid;2-ethylbut-3-en-1-ol

carbonic acid;2-ethylbut-3-en-1-ol (PubChem CID 159522260) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is carbonic acid;2-ethylbut-3-en-1-ol.

Molecular Properties

Compound Namecarbonic acid;2-ethylbut-3-en-1-ol
PubChem CID159522260
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Namecarbonic acid;2-ethylbut-3-en-1-ol
SMILESC=CC(CC)CO.O=C(O)O
InChIInChI=1S/C6H12O.CH2O3/c1-3-6(4-2)5-7;2-1(3)4/h3,6-7H,1,4-5H2,2H3;(H2,2,3,4)
InChIKeyMBYJZTMMDSGVQU-UHFFFAOYSA-N
XLogP1.41
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethylhepta-2,6-dienoic acid
CID 91381848
(3R)-3-(hydroxymethyl)pent-4-enoic acid
CID 55303108
2-ethylpropane-1,3-diol;bis(prop-2-enoic acid)
CID 87649456
(2S)-2-ethenyl-4-methylpentan-1-ol
CID 134955687
2-ethenyl-4-methylpentan-1-ol
CID 14272515
hydroxymethyl 3-(hydroxymethyl)pent-4-enoate
CID 175239677
(3R)-3-ethenylhexanoic acid
CID 55301979
ethanol;prop-2-enoic acid
CID 159350313
carbonic acid;3-methylhex-1-ene
CID 161181273
(5E)-3-ethyl-7-methylidenenona-1,5-diene
CID 22448221
(E,3R)-3-ethenylhept-5-enoic acid
CID 124566834
2-(triethylsilyloxymethyl)but-3-en-1-ol
CID 86052132

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-ethylbut-3-en-1-ol?
The IUPAC name of carbonic acid;2-ethylbut-3-en-1-ol (CID 159522260) is carbonic acid;2-ethylbut-3-en-1-ol.
What is the SMILES notation for carbonic acid;2-ethylbut-3-en-1-ol?
The canonical SMILES for carbonic acid;2-ethylbut-3-en-1-ol is C=CC(CC)CO.O=C(O)O.
What is the InChIKey of carbonic acid;2-ethylbut-3-en-1-ol?
The InChIKey is MBYJZTMMDSGVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.CH2O3/c1-3-6(4-2)5-7;2-1(3)4/h3,6-7H,1,4-5H2,2H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-ethylbut-3-en-1-ol?
carbonic acid;2-ethylbut-3-en-1-ol has a molecular weight of 162.19 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-ethylbut-3-en-1-ol is sourced from PubChem (CID 159522260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).