(4-methyl-4-prop-2-enyloxolan-2-yl)methanol

C9H16O2 — CID 130147797

IUPAC(4-methyl-4-prop-2-enyloxolan-2-yl)methanol
SMILESC=CCC1(C)COC(CO)C1
InChIInChI=1S/C9H16O2/c1-3-4-9(2)5-8(6-10)11-7-9/h3,8,10H,1,4-7H2,2H3
InChIKeyFNIDGPWHTAYYJK-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds3

About (4-methyl-4-prop-2-enyloxolan-2-yl)methanol

(4-methyl-4-prop-2-enyloxolan-2-yl)methanol (PubChem CID 130147797) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4-methyl-4-prop-2-enyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(4-methyl-4-prop-2-enyloxolan-2-yl)methanol
PubChem CID130147797
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4-methyl-4-prop-2-enyloxolan-2-yl)methanol
SMILESC=CCC1(C)COC(CO)C1
InChIInChI=1S/C9H16O2/c1-3-4-9(2)5-8(6-10)11-7-9/h3,8,10H,1,4-7H2,2H3
InChIKeyFNIDGPWHTAYYJK-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 147254336
CID 147254336
[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]methanol
CID 10704445
(4-ethyl-4-methyloxolan-2-yl)methanol;methyl 4-ethyl-4-methyloxolane-2-carboxylate
CID 158722308
1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane
CID 143368961
(2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol
CID 162422509
1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane
CID 149337768
2-oxa-8-azaspiro[4.5]decan-3-ylmethanol
CID 57368663
(2R,3R,5S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-5-methyl-5-prop-2-enyloxane
CID 141326895
(8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol
CID 162422511
(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
CID 15923819
(3S,5S)-5-(hydroxymethyl)-3-methyl-3-prop-2-enylpyrrolidin-2-one
CID 142636257
ethanol;methane;oxiran-2-ylmethanol;prop-1-ene
CID 160753688

Frequently Asked Questions

What is the IUPAC name of (4-methyl-4-prop-2-enyloxolan-2-yl)methanol?
The IUPAC name of (4-methyl-4-prop-2-enyloxolan-2-yl)methanol (CID 130147797) is (4-methyl-4-prop-2-enyloxolan-2-yl)methanol.
What is the SMILES notation for (4-methyl-4-prop-2-enyloxolan-2-yl)methanol?
The canonical SMILES for (4-methyl-4-prop-2-enyloxolan-2-yl)methanol is C=CCC1(C)COC(CO)C1.
What is the InChIKey of (4-methyl-4-prop-2-enyloxolan-2-yl)methanol?
The InChIKey is FNIDGPWHTAYYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-9(2)5-8(6-10)11-7-9/h3,8,10H,1,4-7H2,2H3.
What are the key properties of (4-methyl-4-prop-2-enyloxolan-2-yl)methanol?
(4-methyl-4-prop-2-enyloxolan-2-yl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-prop-2-enyloxolan-2-yl)methanol is sourced from PubChem (CID 130147797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).