2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol

C17H28O — CID 90206709

IUPAC2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol
SMILESCC1(O)CCC2(C3CC4CC4(C)C3(C)C)CC1C2
InChIInChI=1S/C17H28O/c1-14(2)13(7-11-8-15(11,14)3)17-6-5-16(4,18)12(9-17)10-17/h11-13,18H,5-10H2,1-4H3
InChIKeyOQDNYWIUAYQCOH-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.00
Rot. Bonds1

About 2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol

2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol (PubChem CID 90206709) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol.

Molecular Properties

Compound Name2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol
PubChem CID90206709
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol
SMILESCC1(O)CCC2(C3CC4CC4(C)C3(C)C)CC1C2
InChIInChI=1S/C17H28O/c1-14(2)13(7-11-8-15(11,14)3)17-6-5-16(4,18)12(9-17)10-17/h11-13,18H,5-10H2,1-4H3
InChIKeyOQDNYWIUAYQCOH-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol with MolForge

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Related Compounds

(2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol
CID 130436896
1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone
CID 70191080
1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol
CID 67403517
(5S)-3-(1-ethyl-3-iodo-3-methylcyclohexyl)-1,2,2-trimethylbicyclo[3.1.0]hexane
CID 90206723
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
3-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)butan-2-one
CID 20658904
2-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-enal
CID 130035325
3-methyl-1-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328507
(1S,3S,4S,6R)-4-chloro-3-methylbicyclo[4.1.0]heptan-3-ol
CID 23268670
3-(2-hydroxyethyl)-1,2-dimethylbicyclo[3.1.0]hexan-2-ol
CID 130145039
(1R,2S,4S,7S,9R,10S,12S,13S)-2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-4,9,13-triol
CID 44576199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol?
The IUPAC name of 2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol (CID 90206709) is 2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol.
What is the SMILES notation for 2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol?
The canonical SMILES for 2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol is CC1(O)CCC2(C3CC4CC4(C)C3(C)C)CC1C2.
What is the InChIKey of 2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol?
The InChIKey is OQDNYWIUAYQCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-14(2)13(7-11-8-15(11,14)3)17-6-5-16(4,18)12(9-17)10-17/h11-13,18H,5-10H2,1-4H3.
What are the key properties of 2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol?
2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol has a molecular weight of 248.41 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol is sourced from PubChem (CID 90206709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).