CID 101380635

C11H16O2 — CID 101380635

IUPAC—
SMILESCC(=O)OC1[C]C2CC2C(C)(C)C1
InChIInChI=1S/C11H16O2/c1-7(12)13-9-4-8-5-10(8)11(2,3)6-9/h8-10H,5-6H2,1-3H3
InChIKeyOAKBBHOXBMBZKY-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.07
Rot. Bonds1

About CID 101380635

CID 101380635 (PubChem CID 101380635) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol.

Molecular Properties

Compound NameCID 101380635
PubChem CID101380635
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name—
SMILESCC(=O)OC1[C]C2CC2C(C)(C)C1
InChIInChI=1S/C11H16O2/c1-7(12)13-9-4-8-5-10(8)11(2,3)6-9/h8-10H,5-6H2,1-3H3
InChIKeyOAKBBHOXBMBZKY-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-4,4-dimethylcyclopentyl) acetate
CID 174313858
(1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
CID 524259
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(1S,2R,4S,5S,7S)-5-hydroxy-7-(hydroxymethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 102353469
2-bicyclo[1.1.1]pentanyl acetate
CID 23270357
(2,3,4,5,6-pentahydroxycyclohexyl) acetate
CID 19814832
[(1R,2R,4S,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl] acetate
CID 91752707
[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 13094010
[(1R,2S,4R,5S)-2-acetyloxy-4-hydroxy-1-bicyclo[3.1.0]hexanyl]methyl acetate
CID 11031609
[(1S,2R,6R)-6-methyl-2-bicyclo[4.1.0]heptanyl] acetate
CID 11126665
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 66836214
1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818

Frequently Asked Questions

What is the IUPAC name of CID 101380635?
The IUPAC name of CID 101380635 (CID 101380635) is not available.
What is the SMILES notation for CID 101380635?
The canonical SMILES for CID 101380635 is CC(=O)OC1[C]C2CC2C(C)(C)C1.
What is the InChIKey of CID 101380635?
The InChIKey is OAKBBHOXBMBZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(12)13-9-4-8-5-10(8)11(2,3)6-9/h8-10H,5-6H2,1-3H3.
What are the key properties of CID 101380635?
CID 101380635 has a molecular weight of 180.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101380635 is sourced from PubChem (CID 101380635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).