7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene

C20H32O2 — CID 77387590

IUPAC7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
SMILESCOC=C1CCC(C2CCC3CC(=COC)CCC3C2)CC1
InChIInChI=1S/C20H32O2/c1-21-13-15-3-6-17(7-4-15)19-10-9-18-11-16(14-22-2)5-8-20(18)12-19/h13-14,17-20H,3-12H2,1-2H3/b15-13-,16-14?
InChIKeyXMCMYACTJYLAEW-BORRKUGGSA-N
MW304.47 g/mol
LogP5.45
Rot. Bonds3

About 7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene

7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene (PubChem CID 77387590) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene.

Molecular Properties

Compound Name7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
PubChem CID77387590
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
SMILESCOC=C1CCC(C2CCC3CC(=COC)CCC3C2)CC1
InChIInChI=1S/C20H32O2/c1-21-13-15-3-6-17(7-4-15)19-10-9-18-11-16(14-22-2)5-8-20(18)12-19/h13-14,17-20H,3-12H2,1-2H3/b15-13-,16-14?
InChIKeyXMCMYACTJYLAEW-BORRKUGGSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The IUPAC name of 7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene (CID 77387590) is 7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene.
What is the SMILES notation for 7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The canonical SMILES for 7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene is COC=C1CCC(C2CCC3CC(=COC)CCC3C2)CC1.
What is the InChIKey of 7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The InChIKey is XMCMYACTJYLAEW-BORRKUGGSA-N. The full InChI is InChI=1S/C20H32O2/c1-21-13-15-3-6-17(7-4-15)19-10-9-18-11-16(14-22-2)5-8-20(18)12-19/h13-14,17-20H,3-12H2,1-2H3/b15-13-,16-14?.
What are the key properties of 7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene has a molecular weight of 304.47 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene is sourced from PubChem (CID 77387590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).