6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran

C12H16O — CID 134942692

IUPAC6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran
SMILESCC1(C)C=C2C=COCC2C=CC1
InChIInChI=1S/C12H16O/c1-12(2)6-3-4-11-9-13-7-5-10(11)8-12/h3-5,7-8,11H,6,9H2,1-2H3
InChIKeyMSFOVAHXLNWNQF-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.06
Rot. Bonds

About 6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran

6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran (PubChem CID 134942692) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran.

Molecular Properties

Compound Name6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran
PubChem CID134942692
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran
SMILESCC1(C)C=C2C=COCC2C=CC1
InChIInChI=1S/C12H16O/c1-12(2)6-3-4-11-9-13-7-5-10(11)8-12/h3-5,7-8,11H,6,9H2,1-2H3
InChIKeyMSFOVAHXLNWNQF-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methylene-6-methoxymethyl-2,4-cyclohexadiene
CID 12596345
(1-Methyl-benzyl)-vinyl-ether
CID 129714215
1-Ethoxy-3,5,5-trimethylcyclohexa-1,3-diene
CID 21565213
4-tert-butyl-3-propan-2-yl-2H-pyran
CID 58233724
5-(Methoxymethyl)-2-methylcyclohexa-1,3-diene
CID 68177897
2-[(E,4R)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene
CID 70248681
2-[(E)-5-methoxypent-1-enyl]-6-methylcyclohexa-1,3-diene
CID 70251620
2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene
CID 70252232
2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene
CID 70252329
1-Methoxy-5,6,6-trimethylcyclohexa-1,3-diene
CID 89037755
3,3,5-trimethyl-4-prop-1-enyl-2H-furan
CID 90759600
1-(Cyclohexa-2,4-dien-1-ylmethoxy)-4-ethylcyclohepta-1,3,5-triene
CID 91090636

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran?
The IUPAC name of 6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran (CID 134942692) is 6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran.
What is the SMILES notation for 6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran?
The canonical SMILES for 6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran is CC1(C)C=C2C=COCC2C=CC1.
What is the InChIKey of 6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran?
The InChIKey is MSFOVAHXLNWNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-12(2)6-3-4-11-9-13-7-5-10(11)8-12/h3-5,7-8,11H,6,9H2,1-2H3.
What are the key properties of 6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran?
6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran has a molecular weight of 176.26 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran is sourced from PubChem (CID 134942692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).