4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan

C12H16O — CID 91074821

IUPAC4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan
SMILESCC1=CC2=C(CCO2)C(C)C=CC1
InChIInChI=1S/C12H16O/c1-9-4-3-5-10(2)11-6-7-13-12(11)8-9/h3,5,8,10H,4,6-7H2,1-2H3
InChIKeyYZMDQOXCMJQWRK-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.20
Rot. Bonds

About 4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan

4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan (PubChem CID 91074821) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan.

Molecular Properties

Compound Name4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan
PubChem CID91074821
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan
SMILESCC1=CC2=C(CCO2)C(C)C=CC1
InChIInChI=1S/C12H16O/c1-9-4-3-5-10(2)11-6-7-13-12(11)8-9/h3,5,8,10H,4,6-7H2,1-2H3
InChIKeyYZMDQOXCMJQWRK-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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

Marmelo oxide B
CID 14379831
Marmelo oxide A
CID 14379832
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4-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]oxolane
CID 131751905
6-[(Z)-1-fluoroprop-1-enyl]-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070397
5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070560
6-ethenyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247339
5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
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6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 89247420
6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran
CID 89247482
3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan
CID 91266850
3-[(2Z,4Z)-3-ethoxy-6-fluoro-4-methylhexa-2,4-dien-2-yl]oxolane
CID 132125506

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan?
The IUPAC name of 4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan (CID 91074821) is 4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan.
What is the SMILES notation for 4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan?
The canonical SMILES for 4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan is CC1=CC2=C(CCO2)C(C)C=CC1.
What is the InChIKey of 4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan?
The InChIKey is YZMDQOXCMJQWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9-4-3-5-10(2)11-6-7-13-12(11)8-9/h3,5,8,10H,4,6-7H2,1-2H3.
What are the key properties of 4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan?
4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan has a molecular weight of 176.26 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan is sourced from PubChem (CID 91074821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).