2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane

C45H82O7 — CID 167551996

IUPAC2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane
SMILESCOCC1(C)CCCCC1.COCC1CC2C=CC1C2.COCC1CC2CCC1C2.COCC1CCC2(C1)OCCO2.COCC1CCCC(C)C1
InChIInChI=1S/C9H16O3.C9H16O.C9H14O.2C9H18O/c1-10-7-8-2-3-9(6-8)11-4-5-12-9;2*1-10-6-9-5-7-2-3-8(9)4-7;1-8-4-3-5-9(6-8)7-10-2;1-9(8-10-2)6-4-3-5-7-9/h8H,2-7H2,1H3;7-9H,2-6H2,1H3;2-3,7-9H,4-6H2,1H3;8-9H,3-7H2,1-2H3;3-8H2,1-2H3
InChIKeyISVYEFOMQXMXNO-UHFFFAOYSA-N
MW735.14 g/mol
LogP10.15
Rot. Bonds10

About 2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane

2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane (PubChem CID 167551996) has the molecular formula C45H82O7 and a molecular weight of 735.14 g/mol. Its IUPAC name is 2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane.

Molecular Properties

Compound Name2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane
PubChem CID167551996
Molecular FormulaC45H82O7
Molecular Weight735.14 g/mol
Exact Mass734.61
IUPAC Name2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane
SMILESCOCC1(C)CCCCC1.COCC1CC2C=CC1C2.COCC1CC2CCC1C2.COCC1CCC2(C1)OCCO2.COCC1CCCC(C)C1
InChIInChI=1S/C9H16O3.C9H16O.C9H14O.2C9H18O/c1-10-7-8-2-3-9(6-8)11-4-5-12-9;2*1-10-6-9-5-7-2-3-8(9)4-7;1-8-4-3-5-9(6-8)7-10-2;1-9(8-10-2)6-4-3-5-7-9/h8H,2-7H2,1H3;7-9H,2-6H2,1H3;2-3,7-9H,4-6H2,1H3;8-9H,3-7H2,1-2H3;3-8H2,1-2H3
InChIKeyISVYEFOMQXMXNO-UHFFFAOYSA-N
XLogP10.15
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.14
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane?
The IUPAC name of 2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane (CID 167551996) is 2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane.
What is the SMILES notation for 2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane?
The canonical SMILES for 2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane is COCC1(C)CCCCC1.COCC1CC2C=CC1C2.COCC1CC2CCC1C2.COCC1CCC2(C1)OCCO2.COCC1CCCC(C)C1.
What is the InChIKey of 2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane?
The InChIKey is ISVYEFOMQXMXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.C9H16O.C9H14O.2C9H18O/c1-10-7-8-2-3-9(6-8)11-4-5-12-9;2*1-10-6-9-5-7-2-3-8(9)4-7;1-8-4-3-5-9(6-8)7-10-2;1-9(8-10-2)6-4-3-5-7-9/h8H,2-7H2,1H3;7-9H,2-6H2,1H3;2-3,7-9H,4-6H2,1H3;8-9H,3-7H2,1-2H3;3-8H2,1-2H3.
What are the key properties of 2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane?
2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane has a molecular weight of 735.14 g/mol, XLogP of 10.15, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)bicyclo[2.2.1]heptane;5-(methoxymethyl)bicyclo[2.2.1]hept-2-ene;8-(methoxymethyl)-1,4-dioxaspiro[4.4]nonane;1-(methoxymethyl)-1-methylcyclohexane;1-(methoxymethyl)-3-methylcyclohexane is sourced from PubChem (CID 167551996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).