7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene

C10H18O — CID 89027466

IUPAC7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
SMILESCC1CCC2CCOCC2C1
InChIInChI=1S/C10H18O/c1-8-2-3-9-4-5-11-7-10(9)6-8/h8-10H,2-7H2,1H3
InChIKeyUQOQGOATGVIIMU-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.46
Rot. Bonds

About 7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene

7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene (PubChem CID 89027466) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene.

Molecular Properties

Compound Name7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
PubChem CID89027466
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
SMILESCC1CCC2CCOCC2C1
InChIInChI=1S/C10H18O/c1-8-2-3-9-4-5-11-7-10(9)6-8/h8-10H,2-7H2,1H3
InChIKeyUQOQGOATGVIIMU-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene with MolForge

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Related Compounds

1H-Naphtho(2,3-c)pyran, dodecahydro-1,1-dimethyl-
CID 170852
1H-Naphtho[1,2-c]pyran, dodecahydro-1,1-dimethyl-
CID 170853
trans-3-Oxabicyclo[4.4.0]decane
CID 548877
4-Ethyl-trans-3-oxabicyclo[4,4,0]decane
CID 587014
trans-2-Oxadecalin
CID 15062654
(1R,4aS,8aS)-6-fluoro-1-heptyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 154716801
5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 89259537
8-fluoro-3-(1-fluoro-2-methylpropyl)-4,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 144859040
8-fluoro-3-(1-fluoropropyl)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 153535537
3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene
CID 140451785
(8S)-12,17-Epoxy-13,14,15,16-tetranorlabdane (pyamber)
CID 123940033
Dodecahydro 2h benzo(f)isochromene
CID 129759171

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
The IUPAC name of 7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene (CID 89027466) is 7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene.
What is the SMILES notation for 7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
The canonical SMILES for 7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene is CC1CCC2CCOCC2C1.
What is the InChIKey of 7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
The InChIKey is UQOQGOATGVIIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8-2-3-9-4-5-11-7-10(9)6-8/h8-10H,2-7H2,1H3.
What are the key properties of 7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene has a molecular weight of 154.25 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene is sourced from PubChem (CID 89027466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).