1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol

C12H20O2 — CID 131093339

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol
SMILESCCC(O)(C1=COCCC1)C1CC1C
InChIInChI=1S/C12H20O2/c1-3-12(13,11-7-9(11)2)10-5-4-6-14-8-10/h8-9,11,13H,3-7H2,1-2H3
InChIKeyNGCKPDZQNKEURS-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.48
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol

1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol (PubChem CID 131093339) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol
PubChem CID131093339
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol
SMILESCCC(O)(C1=COCCC1)C1CC1C
InChIInChI=1S/C12H20O2/c1-3-12(13,11-7-9(11)2)10-5-4-6-14-8-10/h8-9,11,13H,3-7H2,1-2H3
InChIKeyNGCKPDZQNKEURS-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol
CID 114865258
2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol
CID 167340222
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-one
CID 116709884
2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid
CID 84717977
(1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol
CID 90368841
2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one
CID 116557172
1-(2,3-dihydrofuran-4-yl)-1-thiophen-3-ylpropan-1-ol
CID 130948591
1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one
CID 116566550
1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine
CID 174526359
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 113370610
2-(3-methylcyclohexen-1-yl)propan-2-ol
CID 91748538
1,4-bis(3-methylpentan-3-yl)cyclonona-1,3-diene
CID 123747490

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol (CID 131093339) is 1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol is CCC(O)(C1=COCCC1)C1CC1C.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol?
The InChIKey is NGCKPDZQNKEURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-12(13,11-7-9(11)2)10-5-4-6-14-8-10/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol?
1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol is sourced from PubChem (CID 131093339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).