(3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol

C10H16O2 — CID 130142749

IUPAC(3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol
SMILESC=CCC1OC(CO)C=CC1C
InChIInChI=1S/C10H16O2/c1-3-4-10-8(2)5-6-9(7-11)12-10/h3,5-6,8-11H,1,4,7H2,2H3
InChIKeyNYHWHDPFDVBVHT-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.51
Rot. Bonds3

About (3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol

(3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol (PubChem CID 130142749) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol
PubChem CID130142749
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol
SMILESC=CCC1OC(CO)C=CC1C
InChIInChI=1S/C10H16O2/c1-3-4-10-8(2)5-6-9(7-11)12-10/h3,5-6,8-11H,1,4,7H2,2H3
InChIKeyNYHWHDPFDVBVHT-UHFFFAOYSA-N
XLogP1.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.51
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

[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol
CID 68500076
[(2R,3R,6S)-3-hydroxy-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 25170494
2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
CID 14259408
2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
CID 162127183
6-methyl-5-methylidene-2-prop-2-enyl-2H-pyran
CID 123155935
2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol
CID 130147586
[(2R,3S,6R)-3-hydroxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl 4-methylbenzenesulfonate
CID 71818668
(2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran
CID 155455525
[(2R,3S,6R)-3-(2,2-dimethylpropanoyloxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl 2,2-dimethylpropanoate
CID 11782724
2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol
CID 89228344
[(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol
CID 100953549
[(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 101107557

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol?
The IUPAC name of (3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol (CID 130142749) is (3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol.
What is the SMILES notation for (3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol?
The canonical SMILES for (3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol is C=CCC1OC(CO)C=CC1C.
What is the InChIKey of (3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol?
The InChIKey is NYHWHDPFDVBVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-10-8(2)5-6-9(7-11)12-10/h3,5-6,8-11H,1,4,7H2,2H3.
What are the key properties of (3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol?
(3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol has a molecular weight of 168.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl)methanol is sourced from PubChem (CID 130142749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).