1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol

C15H26O — CID 162969440

IUPAC1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol
SMILESCC1CCCC2(O)CCC3C(C3(C)C)C12C
InChIInChI=1S/C15H26O/c1-10-6-5-8-15(16)9-7-11-12(13(11,2)3)14(10,15)4/h10-12,16H,5-9H2,1-4H3
InChIKeyBREDZYPEWIDOOH-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.61
Rot. Bonds

About 1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol

1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol (PubChem CID 162969440) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol.

Molecular Properties

Compound Name1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol
PubChem CID162969440
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol
SMILESCC1CCCC2(O)CCC3C(C3(C)C)C12C
InChIInChI=1S/C15H26O/c1-10-6-5-8-15(16)9-7-11-12(13(11,2)3)14(10,15)4/h10-12,16H,5-9H2,1-4H3
InChIKeyBREDZYPEWIDOOH-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol with MolForge

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Related Compounds

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trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
1,2,2,3-tetramethylcyclohexan-1-ol;titanium
CID 151433332
(1R,4aS,8aS)-1,8a-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-naphthalen-4a-ol
CID 6428377
(1aS,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4,4a,5,6,7,7b-octahydro-1aH-cyclopropa[e]azulen-7a-ol
CID 162899416
(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 3032717
(1aS,3aR,7S,7bS)-1,1,3a,7-tetramethyl-1a,2,3,4,5,6,7a,7b-octahydrocyclopropa[a]naphthalen-7-ol
CID 91749826
2,2-dimethoxy-1,3-dimethylcyclohexan-1-ol
CID 166746994
(1,2-dimethylcyclopentyl)methanol
CID 544196
1,2-dimethylspiro[bicyclo[4.1.0]heptane-7,1'-cyclopropane]
CID 163587019
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
(4S,4aR,5S,8aS)-4-methoxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8a-ol
CID 163004091

Frequently Asked Questions

What is the IUPAC name of 1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol?
The IUPAC name of 1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol (CID 162969440) is 1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol.
What is the SMILES notation for 1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol?
The canonical SMILES for 1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol is CC1CCCC2(O)CCC3C(C3(C)C)C12C.
What is the InChIKey of 1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol?
The InChIKey is BREDZYPEWIDOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10-6-5-8-15(16)9-7-11-12(13(11,2)3)14(10,15)4/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol?
1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol has a molecular weight of 222.37 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,7,7a-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[a]naphthalen-3a-ol is sourced from PubChem (CID 162969440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).