(6-methyl-2,5-dihydropyran-6-yl)methanol

C7H12O2 — CID 10534676

IUPAC(6-methyl-2,5-dihydropyran-6-yl)methanol
SMILESCC1(CO)CC=CCO1
InChIInChI=1S/C7H12O2/c1-7(6-8)4-2-3-5-9-7/h2-3,8H,4-6H2,1H3
InChIKeyUETJYGNTHWAMGN-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds1

About (6-methyl-2,5-dihydropyran-6-yl)methanol

(6-methyl-2,5-dihydropyran-6-yl)methanol (PubChem CID 10534676) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (6-methyl-2,5-dihydropyran-6-yl)methanol.

Molecular Properties

Compound Name(6-methyl-2,5-dihydropyran-6-yl)methanol
PubChem CID10534676
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(6-methyl-2,5-dihydropyran-6-yl)methanol
SMILESCC1(CO)CC=CCO1
InChIInChI=1S/C7H12O2/c1-7(6-8)4-2-3-5-9-7/h2-3,8H,4-6H2,1H3
InChIKeyUETJYGNTHWAMGN-UHFFFAOYSA-N
XLogP0.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.71
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

(3,6-dihydro-2H-pyran-2-yl)methanol
CID 13438404
(2S,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol
CID 10630501
(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)methanol
CID 12663004
2H-Pyran-2-methanol, 3,6-dihydro-, (2S)-
CID 9833943
(2R,3S)-2-(Hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 10129968
(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]propan-1-ol
CID 11815372
(4-Methyl-3,6-dihydro-2H-pyran-2,2-diyl)dimethanol
CID 21679893
(1S)-1-[(2S)-2,5-dihydrofuran-2-yl]propan-1-ol
CID 58208584
(1S)-1-[(2S)-2,5-dihydrofuran-2-yl]ethanol
CID 130992917
(2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol
CID 10510873
Ctk0J4477
CID 11073512
(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol
CID 21670327

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,5-dihydropyran-6-yl)methanol?
The IUPAC name of (6-methyl-2,5-dihydropyran-6-yl)methanol (CID 10534676) is (6-methyl-2,5-dihydropyran-6-yl)methanol.
What is the SMILES notation for (6-methyl-2,5-dihydropyran-6-yl)methanol?
The canonical SMILES for (6-methyl-2,5-dihydropyran-6-yl)methanol is CC1(CO)CC=CCO1.
What is the InChIKey of (6-methyl-2,5-dihydropyran-6-yl)methanol?
The InChIKey is UETJYGNTHWAMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-7(6-8)4-2-3-5-9-7/h2-3,8H,4-6H2,1H3.
What are the key properties of (6-methyl-2,5-dihydropyran-6-yl)methanol?
(6-methyl-2,5-dihydropyran-6-yl)methanol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,5-dihydropyran-6-yl)methanol is sourced from PubChem (CID 10534676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).