(6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol

C12H22O — CID 130488861

IUPAC(6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol
SMILESCCC1CCC2(C1)C(CO)C2(C)C
InChIInChI=1S/C12H22O/c1-4-9-5-6-12(7-9)10(8-13)11(12,2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyNVQVOKAEYXNUKM-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.83
Rot. Bonds2

About (6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol

(6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol (PubChem CID 130488861) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol.

Molecular Properties

Compound Name(6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol
PubChem CID130488861
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol
SMILESCCC1CCC2(C1)C(CO)C2(C)C
InChIInChI=1S/C12H22O/c1-4-9-5-6-12(7-9)10(8-13)11(12,2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyNVQVOKAEYXNUKM-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methanol
CID 130488936
N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine
CID 114229867
(2,2-dimethyl-5-propan-2-ylspiro[2.3]hexan-1-yl)methanol
CID 130488897
(2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol
CID 114229957
2-(1-amino-3-ethylcyclopentyl)ethanol
CID 65239857
[(1S)-3,3-dimethylcyclopentyl]methanol
CID 159914707
(4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 54221269
(3-ethyl-1-methylcyclopentyl)methanamine
CID 65407293
3-ethyl-1-methyl-1-propan-2-ylcyclopentane
CID 91433980
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
ethane;3-ethyl-8-azaspiro[4.5]decane
CID 170578114
1-ethenyl-3-ethylcyclopentan-1-ol
CID 65419295

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol?
The IUPAC name of (6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol (CID 130488861) is (6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol.
What is the SMILES notation for (6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol?
The canonical SMILES for (6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol is CCC1CCC2(C1)C(CO)C2(C)C.
What is the InChIKey of (6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol?
The InChIKey is NVQVOKAEYXNUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-9-5-6-12(7-9)10(8-13)11(12,2)3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of (6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol?
(6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol has a molecular weight of 182.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol is sourced from PubChem (CID 130488861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).