3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran

C15H22O — CID 154722371

IUPAC3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran
SMILESCc1cocc1C1CC[C@@H]2CCCC[C@]12C
InChIInChI=1S/C15H22O/c1-11-9-16-10-13(11)14-7-6-12-5-3-4-8-15(12,14)2/h9-10,12,14H,3-8H2,1-2H3/t12-,14?,15-/m0/s1
InChIKeyOFFANYXHTQLYPN-JDLVMGNASA-N
MW218.34 g/mol
LogP4.66
Rot. Bonds1

About 3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran

3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran (PubChem CID 154722371) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran.

Molecular Properties

Compound Name3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran
PubChem CID154722371
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran
SMILESCc1cocc1C1CC[C@@H]2CCCC[C@]12C
InChIInChI=1S/C15H22O/c1-11-9-16-10-13(11)14-7-6-12-5-3-4-8-15(12,14)2/h9-10,12,14H,3-8H2,1-2H3/t12-,14?,15-/m0/s1
InChIKeyOFFANYXHTQLYPN-JDLVMGNASA-N
XLogP4.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran with MolForge

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Related Compounds

(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane
CID 142069043
7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane
CID 171514163
2-cycloheptyl-2-methylcycloheptan-1-amine
CID 160840107
(1R,8R,11R,12S,17S)-3,12-dimethyl-2-azatetracyclo[9.8.0.01,8.012,17]nonadec-2-ene
CID 143718545
(8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 152778289
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylic acid
CID 154722372
(5S,8R,9S,10S,13R,14S,17R)-17-(furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-ol
CID 67810665
(8R,9R,10S,13R,14R)-17-(furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-ol
CID 70044368
1,2-dicyclohexyl-1-methylcyclohexane
CID 173420914
(5R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
CID 45043776
(3aR,9aS,9bR)-3a,9a-dimethyl-4,5,5a,6,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-one
CID 143398960
(4aS,4bS,10bS,12aR)-7-benzyl-4a,8-dimethyl-2,3,4,4b,5,6,10b,11,12,12a-decahydro-1H-chrysene
CID 95239965

Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran?
The IUPAC name of 3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran (CID 154722371) is 3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran.
What is the SMILES notation for 3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran?
The canonical SMILES for 3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran is Cc1cocc1C1CC[C@@H]2CCCC[C@]12C.
What is the InChIKey of 3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran?
The InChIKey is OFFANYXHTQLYPN-JDLVMGNASA-N. The full InChI is InChI=1S/C15H22O/c1-11-9-16-10-13(11)14-7-6-12-5-3-4-8-15(12,14)2/h9-10,12,14H,3-8H2,1-2H3/t12-,14?,15-/m0/s1.
What are the key properties of 3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran?
3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran has a molecular weight of 218.34 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-methylfuran is sourced from PubChem (CID 154722371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).