(2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol

C10H16O2 — CID 91033797

IUPAC(2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol
SMILESCC1=CCOC(C=C[C@@H](C)O)C1
InChIInChI=1S/C10H16O2/c1-8-5-6-12-10(7-8)4-3-9(2)11/h3-5,9-11H,6-7H2,1-2H3/t9-,10?/m1/s1
InChIKeyBCJSNGSZNHJDDW-YHMJZVADSA-N
MW168.24 g/mol
LogP1.66
Rot. Bonds2

About (2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol

(2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol (PubChem CID 91033797) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol
PubChem CID91033797
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol
SMILESCC1=CCOC(C=C[C@@H](C)O)C1
InChIInChI=1S/C10H16O2/c1-8-5-6-12-10(7-8)4-3-9(2)11/h3-5,9-11H,6-7H2,1-2H3/t9-,10?/m1/s1
InChIKeyBCJSNGSZNHJDDW-YHMJZVADSA-N
XLogP1.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.66
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

(2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran
CID 59026896
methyl (2E,7Z)-6-hydroxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienoate
CID 68712606
(1E,3S,4S,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-1,6-dien-3-ol
CID 59026962
(1R,7S,15S,17R)-7-[(1S)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-13,15-dimethyl-6,21-dioxabicyclo[15.3.1]henicosa-3,8,12,19-tetraene-5,11-dione
CID 90726604
2-cyclopropyl-4-methyl-3,6-dihydro-2H-pyran
CID 154711567
(1R,7S,15S,17R)-11-hydroxy-7-[(1S)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-15-methyl-13-methylidene-6,21-dioxabicyclo[15.3.1]henicosa-3,9,19-trien-5-one
CID 90710363
(10S,14S,15E,18S)-14-hydroxy-18-[(E,1S)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-3,4,10-trimethyl-12-methylidene-1,7-dioxacyclooctadec-15-ene-2,6-dione
CID 89205074
(Z)-4-[(2R,6R)-2-[(2S,6S)-6-[(2S,3S)-3-[(E,2S,3R)-3-hydroxy-2-methyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]pent-4-enyl]oxiran-2-yl]-2-methyl-4-methylideneheptyl]-3,6-dihydro-2H-pyran-6-yl]but-2-enoic acid
CID 148801319
(1R,7S,9E,15S,17R)-3-hydroxy-7-[(E,1S)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-15-methyl-13-methylidene-6,21-dioxabicyclo[15.3.1]henicosa-9,19-dien-5-one
CID 24887961
(3Z,9Z)-11-hydroxy-7-[(E)-1-hydroxy-3-(4-methyl-3,6-dihydro-2H-pyran-2-yl)prop-2-enyl]-15-methyl-13-methylidene-21-oxa-6-azabicyclo[15.3.1]henicosa-3,9,19-trien-5-one
CID 23524037
(1R,3Z,7S,9R,10S,11S,15S,17R)-9,10,11-trihydroxy-7-[(E,1S)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-15-methyl-13-methylidene-6,21-dioxabicyclo[15.3.1]henicosa-3,19-dien-5-one
CID 59027027
(1R,3S,8S,10S,12S,15Z,18R)-7-hydroxy-12-[(E,1S)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-3-methyl-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
CID 11443695

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol?
The IUPAC name of (2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol (CID 91033797) is (2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol.
What is the SMILES notation for (2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol?
The canonical SMILES for (2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol is CC1=CCOC(C=C[C@@H](C)O)C1.
What is the InChIKey of (2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol?
The InChIKey is BCJSNGSZNHJDDW-YHMJZVADSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-5-6-12-10(7-8)4-3-9(2)11/h3-5,9-11H,6-7H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol?
(2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol is sourced from PubChem (CID 91033797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).