cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol

C15H28O2 — CID 101243669

IUPACcis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol
SMILESCC1(C)C[C@@H](O)[C@@H]([C@@]2(C)CC[C@H]2C(C)(C)O)C1
InChIInChI=1S/C15H28O2/c1-13(2)8-10(11(16)9-13)15(5)7-6-12(15)14(3,4)17/h10-12,16-17H,6-9H2,1-5H3/t10-,11+,12-,15+/m0/s1
InChIKeyHEIXUXMZQQPXMG-OZTPJHRESA-N
MW240.39 g/mol
LogP2.97
Rot. Bonds2

About cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol

cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol (PubChem CID 101243669) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol
PubChem CID101243669
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namecis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol
SMILESCC1(C)C[C@@H](O)[C@@H]([C@@]2(C)CC[C@H]2C(C)(C)O)C1
InChIInChI=1S/C15H28O2/c1-13(2)8-10(11(16)9-13)15(5)7-6-12(15)14(3,4)17/h10-12,16-17H,6-9H2,1-5H3/t10-,11+,12-,15+/m0/s1
InChIKeyHEIXUXMZQQPXMG-OZTPJHRESA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol with MolForge

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Related Compounds

cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol
CID 131133876
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
cis-(1S,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutane-1-carbaldehyde
CID 15119245
(1R,3R,4R)-4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,3-diol
CID 86333734
2-[2-(1-hydroxyethyl)-2-methylcyclobutyl]propan-2-ol
CID 130127185
(1S,4R,4aS,5S,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triol
CID 90838140
(1S,3R,4R,4aR,5S,6R,8aS)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,3,5-triol
CID 93063285
(5S,8R,10S,13S,14S,17S)-17-(2-hydroxypropan-2-yl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 163858680
2-[4-(methoxymethoxy)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-2-ol
CID 142650533
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
(3S,4aS,5S,8aR)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-ol
CID 44559304
7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 69133827

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol (CID 101243669) is cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol is CC1(C)C[C@@H](O)[C@@H]([C@@]2(C)CC[C@H]2C(C)(C)O)C1.
What is the InChIKey of cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol?
The InChIKey is HEIXUXMZQQPXMG-OZTPJHRESA-N. The full InChI is InChI=1S/C15H28O2/c1-13(2)8-10(11(16)9-13)15(5)7-6-12(15)14(3,4)17/h10-12,16-17H,6-9H2,1-5H3/t10-,11+,12-,15+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol?
cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol is sourced from PubChem (CID 101243669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).