CID 101109810

C10H17O2 — CID 101109810

IUPAC—
SMILESCC1(C)C2CCC([O])(CO)C1C2
InChIInChI=1S/C10H17O2/c1-9(2)7-3-4-10(12,6-11)8(9)5-7/h7-8,11H,3-6H2,1-2H3
InChIKeySSMGKFOYWZSHKX-UHFFFAOYSA-N
MW169.24 g/mol
LogP1.60
Rot. Bonds1

About CID 101109810

CID 101109810 (PubChem CID 101109810) has the molecular formula C10H17O2 and a molecular weight of 169.24 g/mol.

Molecular Properties

Compound NameCID 101109810
PubChem CID101109810
Molecular FormulaC10H17O2
Molecular Weight169.24 g/mol
Exact Mass169.12
IUPAC Name—
SMILESCC1(C)C2CCC([O])(CO)C1C2
InChIInChI=1S/C10H17O2/c1-9(2)7-3-4-10(12,6-11)8(9)5-7/h7-8,11H,3-6H2,1-2H3
InChIKeySSMGKFOYWZSHKX-UHFFFAOYSA-N
XLogP1.60
TPSA40.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(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
2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 130151891
2,6,6-trimethyl-2-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 23528933
[6,6-dimethyl-2-(methylsulfinylmethoxy)-2-bicyclo[3.1.1]heptanyl]methanol
CID 135044070
1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol
CID 142311973
2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
CID 131098092
(1R,2S,5R)-2-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 98059544
3-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)propanal
CID 177223499
(1S,5R)-2-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 59952678
ethyl 2-[(1R,2S,5S)-2-hydroxy-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetate
CID 139266075
(1R,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
CID 3034388

Frequently Asked Questions

What is the IUPAC name of CID 101109810?
The IUPAC name of CID 101109810 (CID 101109810) is not available.
What is the SMILES notation for CID 101109810?
The canonical SMILES for CID 101109810 is CC1(C)C2CCC([O])(CO)C1C2.
What is the InChIKey of CID 101109810?
The InChIKey is SSMGKFOYWZSHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O2/c1-9(2)7-3-4-10(12,6-11)8(9)5-7/h7-8,11H,3-6H2,1-2H3.
What are the key properties of CID 101109810?
CID 101109810 has a molecular weight of 169.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101109810 is sourced from PubChem (CID 101109810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).