2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane

C15H26O2 — CID 57121539

IUPAC2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane
SMILESCC1=C(C)C(C)(C)C[C@@H](OC2CCCCO2)C1
InChIInChI=1S/C15H26O2/c1-11-9-13(10-15(3,4)12(11)2)17-14-7-5-6-8-16-14/h13-14H,5-10H2,1-4H3/t13-,14?/m0/s1
InChIKeyMDZLOGGFCYQSRU-LSLKUGRBSA-N
MW238.37 g/mol
LogP4.05
Rot. Bonds2

About 2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane

2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane (PubChem CID 57121539) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane.

Molecular Properties

Compound Name2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane
PubChem CID57121539
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane
SMILESCC1=C(C)C(C)(C)C[C@@H](OC2CCCCO2)C1
InChIInChI=1S/C15H26O2/c1-11-9-13(10-15(3,4)12(11)2)17-14-7-5-6-8-16-14/h13-14H,5-10H2,1-4H3/t13-,14?/m0/s1
InChIKeyMDZLOGGFCYQSRU-LSLKUGRBSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane 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

2-(4-methylidenecyclohexyl)oxyoxane
CID 15349885
2-cycloheptyloxyoxane
CID 11735764
(2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane
CID 98518565
2-(oxetan-3-yloxy)oxane
CID 54083112
(4S)-4-(oxan-2-yloxy)oxolan-2-one
CID 139705709
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
(4S)-4-(oxan-2-yloxy)pyrrolidin-2-one
CID 141338293
trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol
CID 89143909
2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane
CID 138723745
(1R,5S,6R)-1,3,3-trimethyl-5-[(2R)-oxan-2-yl]oxy-7-oxabicyclo[4.1.0]heptane
CID 98538924
trans-(1R,3S)-3-(oxan-2-yloxy)-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 67215035
2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
CID 10104198

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane?
The IUPAC name of 2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane (CID 57121539) is 2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane.
What is the SMILES notation for 2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane?
The canonical SMILES for 2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane is CC1=C(C)C(C)(C)C[C@@H](OC2CCCCO2)C1.
What is the InChIKey of 2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane?
The InChIKey is MDZLOGGFCYQSRU-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-9-13(10-15(3,4)12(11)2)17-14-7-5-6-8-16-14/h13-14H,5-10H2,1-4H3/t13-,14?/m0/s1.
What are the key properties of 2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane?
2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane has a molecular weight of 238.37 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane is sourced from PubChem (CID 57121539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).