(1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one

C11H16O — CID 13468510

IUPAC(1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one
SMILESCC1(C)[C@@H]2CC(=O)C3(CC3)[C@H]1C2
InChIInChI=1S/C11H16O/c1-10(2)7-5-8(10)11(3-4-11)9(12)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyDWGXQWXPVHNLHF-YUMQZZPRSA-N
MW164.25 g/mol
LogP2.40
Rot. Bonds

About (1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one

(1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one (PubChem CID 13468510) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name(1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one
PubChem CID13468510
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one
SMILESCC1(C)[C@@H]2CC(=O)C3(CC3)[C@H]1C2
InChIInChI=1S/C11H16O/c1-10(2)7-5-8(10)11(3-4-11)9(12)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyDWGXQWXPVHNLHF-YUMQZZPRSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one
CID 13468509
(1R,2R,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-dioxolane]-3-one
CID 102246365
(2R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-dioxane]-3-one
CID 135069914
2,6,6-trimethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybicyclo[3.1.1]heptan-3-one
CID 154812516
(2,6,6-trimethyl-3-oxo-2-bicyclo[3.1.1]heptanyl) 2,2-dimethylpentanoate
CID 54433697
(1S,4S,6R)-6-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 23310004
6-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 4737082
(4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one
CID 130612042
14-hydroxy-5,10,14,17,17-pentamethyl-9-oxatetracyclo[11.3.1.03,5.08,10]heptadecan-15-one
CID 157269172
(1R,2S,5R,6R)-6-methyl-6-(4-methylpent-3-enyl)spiro[bicyclo[3.1.1]heptane-2,2'-oxirane]-3-one
CID 134827983
2,6,6-trimethyl-2-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 23528933
(1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 14570352

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one?
The IUPAC name of (1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one (CID 13468510) is (1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one.
What is the SMILES notation for (1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one?
The canonical SMILES for (1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one is CC1(C)[C@@H]2CC(=O)C3(CC3)[C@H]1C2.
What is the InChIKey of (1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one?
The InChIKey is DWGXQWXPVHNLHF-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H16O/c1-10(2)7-5-8(10)11(3-4-11)9(12)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one?
(1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one has a molecular weight of 164.25 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 13468510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).