methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane

C34H60O4 — CID 158402978

IUPACmethane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane
SMILESC.C.CC12CCC(COCC3CCC4(C)OC4C3)CC1O2.CC1=CCC(COCC2CC=C(C)CC2)CC1
InChIInChI=1S/C16H26O3.C16H26O.2CH4/c1-15-5-3-11(7-13(15)18-15)9-17-10-12-4-6-16(2)14(8-12)19-16;1-13-3-7-15(8-4-13)11-17-12-16-9-5-14(2)6-10-16;;/h11-14H,3-10H2,1-2H3;3,5,15-16H,4,6-12H2,1-2H3;2*1H4
InChIKeyGYIFTSVUMFERDC-UHFFFAOYSA-N
MW532.85 g/mol
LogP8.69
Rot. Bonds8

About methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane

methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 158402978) has the molecular formula C34H60O4 and a molecular weight of 532.85 g/mol. Its IUPAC name is methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Namemethane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID158402978
Molecular FormulaC34H60O4
Molecular Weight532.85 g/mol
Exact Mass532.45
IUPAC Namemethane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane
SMILESC.C.CC12CCC(COCC3CCC4(C)OC4C3)CC1O2.CC1=CCC(COCC2CC=C(C)CC2)CC1
InChIInChI=1S/C16H26O3.C16H26O.2CH4/c1-15-5-3-11(7-13(15)18-15)9-17-10-12-4-6-16(2)14(8-12)19-16;1-13-3-7-15(8-4-13)11-17-12-16-9-5-14(2)6-10-16;;/h11-14H,3-10H2,1-2H3;3,5,15-16H,4,6-12H2,1-2H3;2*1H4
InChIKeyGYIFTSVUMFERDC-UHFFFAOYSA-N
XLogP8.69
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.85
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane (CID 158402978) is methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane is C.C.CC12CCC(COCC3CCC4(C)OC4C3)CC1O2.CC1=CCC(COCC2CC=C(C)CC2)CC1.
What is the InChIKey of methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is GYIFTSVUMFERDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3.C16H26O.2CH4/c1-15-5-3-11(7-13(15)18-15)9-17-10-12-4-6-16(2)14(8-12)19-16;1-13-3-7-15(8-4-13)11-17-12-16-9-5-14(2)6-10-16;;/h11-14H,3-10H2,1-2H3;3,5,15-16H,4,6-12H2,1-2H3;2*1H4.
What are the key properties of methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane?
methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 532.85 g/mol, XLogP of 8.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methoxymethyl]cyclohexene;1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 158402978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).