2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane

C18H24O2 — CID 118214174

IUPAC2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane
SMILESCC1(C)COC1c1ccc(OC[C@@H]2CC=CCC2)cc1
InChIInChI=1S/C18H24O2/c1-18(2)13-20-17(18)15-8-10-16(11-9-15)19-12-14-6-4-3-5-7-14/h3-4,8-11,14,17H,5-7,12-13H2,1-2H3/t14-,17?/m1/s1
InChIKeyZMAKDJLIPQARID-XPCCGILXSA-N
MW272.39 g/mol
LogP4.52
Rot. Bonds4

About 2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane

2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane (PubChem CID 118214174) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane.

Molecular Properties

Compound Name2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane
PubChem CID118214174
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane
SMILESCC1(C)COC1c1ccc(OC[C@@H]2CC=CCC2)cc1
InChIInChI=1S/C18H24O2/c1-18(2)13-20-17(18)15-8-10-16(11-9-15)19-12-14-6-4-3-5-7-14/h3-4,8-11,14,17H,5-7,12-13H2,1-2H3/t14-,17?/m1/s1
InChIKeyZMAKDJLIPQARID-XPCCGILXSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane?
The IUPAC name of 2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane (CID 118214174) is 2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane.
What is the SMILES notation for 2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane?
The canonical SMILES for 2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane is CC1(C)COC1c1ccc(OC[C@@H]2CC=CCC2)cc1.
What is the InChIKey of 2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane?
The InChIKey is ZMAKDJLIPQARID-XPCCGILXSA-N. The full InChI is InChI=1S/C18H24O2/c1-18(2)13-20-17(18)15-8-10-16(11-9-15)19-12-14-6-4-3-5-7-14/h3-4,8-11,14,17H,5-7,12-13H2,1-2H3/t14-,17?/m1/s1.
What are the key properties of 2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane?
2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane has a molecular weight of 272.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1S)-cyclohex-3-en-1-yl]methoxy]phenyl]-3,3-dimethyloxetane is sourced from PubChem (CID 118214174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).