2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane

C15H26O2 — CID 10966580

IUPAC2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane
SMILESCC1=CCC(C(C)(C)OC2CCCCO2)CC1
InChIInChI=1S/C15H26O2/c1-12-7-9-13(10-8-12)15(2,3)17-14-6-4-5-11-16-14/h7,13-14H,4-6,8-11H2,1-3H3
InChIKeyLWXDCVSLKPAMCW-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.05
Rot. Bonds3

About 2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane

2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane (PubChem CID 10966580) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane.

Molecular Properties

Compound Name2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane
PubChem CID10966580
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane
SMILESCC1=CCC(C(C)(C)OC2CCCCO2)CC1
InChIInChI=1S/C15H26O2/c1-12-7-9-13(10-8-12)15(2,3)17-14-6-4-5-11-16-14/h7,13-14H,4-6,8-11H2,1-3H3
InChIKeyLWXDCVSLKPAMCW-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane?
The IUPAC name of 2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane (CID 10966580) is 2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane.
What is the SMILES notation for 2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane?
The canonical SMILES for 2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane is CC1=CCC(C(C)(C)OC2CCCCO2)CC1.
What is the InChIKey of 2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane?
The InChIKey is LWXDCVSLKPAMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-12-7-9-13(10-8-12)15(2,3)17-14-6-4-5-11-16-14/h7,13-14H,4-6,8-11H2,1-3H3.
What are the key properties of 2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane?
2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane has a molecular weight of 238.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane is sourced from PubChem (CID 10966580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).