8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran

C14H22O — CID 123463134

IUPAC8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran
SMILESCC1=CCC2OC3CCCCC3C2CC1
InChIInChI=1S/C14H22O/c1-10-6-8-12-11-4-2-3-5-13(11)15-14(12)9-7-10/h7,11-14H,2-6,8-9H2,1H3
InChIKeyANLSFBXWOQRIMV-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.69
Rot. Bonds

About 8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran

8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran (PubChem CID 123463134) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran.

Molecular Properties

Compound Name8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran
PubChem CID123463134
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran
SMILESCC1=CCC2OC3CCCCC3C2CC1
InChIInChI=1S/C14H22O/c1-10-6-8-12-11-4-2-3-5-13(11)15-14(12)9-7-10/h7,11-14H,2-6,8-9H2,1H3
InChIKeyANLSFBXWOQRIMV-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran with MolForge

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Related Compounds

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1,4-dimethyl(113C)cyclohexene
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CID 59269448
CID 59269448
(4-methylcyclohex-3-en-1-yl)methanol
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(3Z)-4-methylcyclooct-3-en-1-ol
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1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene
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1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene
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ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
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CID 637978

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran?
The IUPAC name of 8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran (CID 123463134) is 8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran.
What is the SMILES notation for 8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran?
The canonical SMILES for 8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran is CC1=CCC2OC3CCCCC3C2CC1.
What is the InChIKey of 8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran?
The InChIKey is ANLSFBXWOQRIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10-6-8-12-11-4-2-3-5-13(11)15-14(12)9-7-10/h7,11-14H,2-6,8-9H2,1H3.
What are the key properties of 8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran?
8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran has a molecular weight of 206.33 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,4,4a,5a,6,9,10,10a,10b-decahydro-1H-cyclohepta[b][1]benzofuran is sourced from PubChem (CID 123463134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).