2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol

C11H20O2 — CID 82406500

IUPAC2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol
SMILESCC1CC(O)C2CCCCCC2O1
InChIInChI=1S/C11H20O2/c1-8-7-10(12)9-5-3-2-4-6-11(9)13-8/h8-12H,2-7H2,1H3
InChIKeyCRFVOCOIYCRBEE-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.11
Rot. Bonds

About 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol

2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol (PubChem CID 82406500) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol.

Molecular Properties

Compound Name2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol
PubChem CID82406500
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol
SMILESCC1CC(O)C2CCCCCC2O1
InChIInChI=1S/C11H20O2/c1-8-7-10(12)9-5-3-2-4-6-11(9)13-8/h8-12H,2-7H2,1H3
InChIKeyCRFVOCOIYCRBEE-UHFFFAOYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131039389
N-[(2S,4R,4aS,7aR)-2-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-3-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol?
The IUPAC name of 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol (CID 82406500) is 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol.
What is the SMILES notation for 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol?
The canonical SMILES for 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol is CC1CC(O)C2CCCCCC2O1.
What is the InChIKey of 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol?
The InChIKey is CRFVOCOIYCRBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-7-10(12)9-5-3-2-4-6-11(9)13-8/h8-12H,2-7H2,1H3.
What are the key properties of 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol?
2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol has a molecular weight of 184.28 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol is sourced from PubChem (CID 82406500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).