(3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol

C10H18O2 — CID 130142594

IUPAC(3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol
SMILESC=C(C)C1COCC(C)C1CO
InChIInChI=1S/C10H18O2/c1-7(2)10-6-12-5-8(3)9(10)4-11/h8-11H,1,4-6H2,2-3H3
InChIKeyUBHPRDTWTJOSQZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.45
Rot. Bonds2

About (3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol

(3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol (PubChem CID 130142594) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol.

Molecular Properties

Compound Name(3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol
PubChem CID130142594
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol
SMILESC=C(C)C1COCC(C)C1CO
InChIInChI=1S/C10H18O2/c1-7(2)10-6-12-5-8(3)9(10)4-11/h8-11H,1,4-6H2,2-3H3
InChIKeyUBHPRDTWTJOSQZ-UHFFFAOYSA-N
XLogP1.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.45
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

[(1S,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methanol
CID 129321353
(2-methyl-5-prop-1-en-2-ylcyclopentyl)methanol
CID 12634580
4-ethyl-3,5-dimethyloxane
CID 91432465
[(1S,2S,5S)-2-methyl-5-(3-trimethylsilylprop-1-en-2-yl)cyclopentyl]methanol
CID 134901073
(4-methyloxolan-3-yl)methanol
CID 53402099
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
(7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol
CID 115013757
(3R)-3,4-dimethyloxolane;ethene
CID 145261700
2-(2,6-dimethyl-3-prop-1-en-2-ylcyclohexyl)ethanol
CID 130148274
[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol
CID 146204600
4-methyloxolane-3-carboxylic acid
CID 83669962
[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol
CID 176666690

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol?
The IUPAC name of (3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol (CID 130142594) is (3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol.
What is the SMILES notation for (3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol?
The canonical SMILES for (3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol is C=C(C)C1COCC(C)C1CO.
What is the InChIKey of (3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol?
The InChIKey is UBHPRDTWTJOSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)10-6-12-5-8(3)9(10)4-11/h8-11H,1,4-6H2,2-3H3.
What are the key properties of (3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol?
(3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol has a molecular weight of 170.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol is sourced from PubChem (CID 130142594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).