(1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]

C14H24O — CID 125452299

IUPAC(1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
SMILESCC1(C)CCC[C@]2(CC[C@H]3C[C@H]3CO2)C1
InChIInChI=1S/C14H24O/c1-13(2)5-3-6-14(10-13)7-4-11-8-12(11)9-15-14/h11-12H,3-10H2,1-2H3/t11-,12-,14-/m0/s1
InChIKeyGLHKJZZITZAVPP-OBJOEFQTSA-N
MW208.34 g/mol
LogP3.77
Rot. Bonds

About (1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]

(1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane] (PubChem CID 125452299) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane].

Molecular Properties

Compound Name(1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
PubChem CID125452299
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
SMILESCC1(C)CCC[C@]2(CC[C@H]3C[C@H]3CO2)C1
InChIInChI=1S/C14H24O/c1-13(2)5-3-6-14(10-13)7-4-11-8-12(11)9-15-14/h11-12H,3-10H2,1-2H3/t11-,12-,14-/m0/s1
InChIKeyGLHKJZZITZAVPP-OBJOEFQTSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane] with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]?
The IUPAC name of (1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane] (CID 125452299) is (1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane].
What is the SMILES notation for (1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]?
The canonical SMILES for (1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane] is CC1(C)CCC[C@]2(CC[C@H]3C[C@H]3CO2)C1.
What is the InChIKey of (1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]?
The InChIKey is GLHKJZZITZAVPP-OBJOEFQTSA-N. The full InChI is InChI=1S/C14H24O/c1-13(2)5-3-6-14(10-13)7-4-11-8-12(11)9-15-14/h11-12H,3-10H2,1-2H3/t11-,12-,14-/m0/s1.
What are the key properties of (1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]?
(1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane] has a molecular weight of 208.34 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane] is sourced from PubChem (CID 125452299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).