cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol

C12H24O — CID 131133876

IUPACcis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol
SMILESCC1(C)CC[C@@H](C(C)(C)C)[C@@H](O)C1
InChIInChI=1S/C12H24O/c1-11(2,3)9-6-7-12(4,5)8-10(9)13/h9-10,13H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyVEYCCFPADQUXEV-ZJUUUORDSA-N
MW184.32 g/mol
LogP3.22
Rot. Bonds

About cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol

cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol (PubChem CID 131133876) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol
PubChem CID131133876
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Namecis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol
SMILESCC1(C)CC[C@@H](C(C)(C)C)[C@@H](O)C1
InChIInChI=1S/C12H24O/c1-11(2,3)9-6-7-12(4,5)8-10(9)13/h9-10,13H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyVEYCCFPADQUXEV-ZJUUUORDSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(7S,8R)-8-tert-butyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 121001600
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
2-hydroxy-2-(2,4,4-trimethylcyclohexyl)propanoic acid
CID 81313663
(1R,3R,4R)-4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,3-diol
CID 86333734
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
cis-(1R,2R)-2-[(1R,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutyl]-4,4-dimethylcyclopentan-1-ol
CID 101243669
5,5-dimethyl-2-(2-methylpropyl)cyclohexan-1-ol
CID 134223783
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
(1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol
CID 167145522
3-tert-butyl-1,1,2-trimethylcyclopentane
CID 123786116
2-(2-cyclopropylethoxy)-4,4-dimethylcyclohexan-1-ol
CID 106203965

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol (CID 131133876) is cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol is CC1(C)CC[C@@H](C(C)(C)C)[C@@H](O)C1.
What is the InChIKey of cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol?
The InChIKey is VEYCCFPADQUXEV-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H24O/c1-11(2,3)9-6-7-12(4,5)8-10(9)13/h9-10,13H,6-8H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol?
cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 131133876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).