(2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol

C12H22O — CID 130488897

IUPAC(2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol
SMILESCC(C)C1CC2(C1)C(CO)C2(C)C
InChIInChI=1S/C12H22O/c1-8(2)9-5-12(6-9)10(7-13)11(12,3)4/h8-10,13H,5-7H2,1-4H3
InChIKeyRNDUBTKDBHSGOH-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.69
Rot. Bonds2

About (2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol

(2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol (PubChem CID 130488897) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol
PubChem CID130488897
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol
SMILESCC(C)C1CC2(C1)C(CO)C2(C)C
InChIInChI=1S/C12H22O/c1-8(2)9-5-12(6-9)10(7-13)11(12,3)4/h8-10,13H,5-7H2,1-4H3
InChIKeyRNDUBTKDBHSGOH-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol
CID 130488861
(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methanol
CID 130488936
2-(1-amino-3-propan-2-ylcyclobutyl)ethanol
CID 103565314
1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane
CID 140583880
[(1S,3R)-1,3-dimethyl-2-bicyclo[1.1.0]butanyl]methanol
CID 130694554
1,1-diethyl-3-propan-2-ylcyclobutane
CID 162172993
N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine
CID 114229747
2-tricyclo[1.1.1.01,3]pentanylmethanol
CID 10975409
1-butyl-1-methyl-3-propan-2-ylcyclobutane
CID 162724820
cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 66838571
1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane
CID 167705554
1-(2-aminoethyl)-3-propan-2-ylcyclobutan-1-ol
CID 103565540

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol?
The IUPAC name of (2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol (CID 130488897) is (2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol?
The canonical SMILES for (2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol is CC(C)C1CC2(C1)C(CO)C2(C)C.
What is the InChIKey of (2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol?
The InChIKey is RNDUBTKDBHSGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8(2)9-5-12(6-9)10(7-13)11(12,3)4/h8-10,13H,5-7H2,1-4H3.
What are the key properties of (2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol?
(2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol has a molecular weight of 182.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol is sourced from PubChem (CID 130488897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).