8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene

C14H26O2 — CID 19105347

IUPAC8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
SMILESCOCC1(COC)CCCC2CCCCC21
InChIInChI=1S/C14H26O2/c1-15-10-14(11-16-2)9-5-7-12-6-3-4-8-13(12)14/h12-13H,3-11H2,1-2H3
InChIKeyNVHGAFGVKUUSKV-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.26
Rot. Bonds4

About 8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene

8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene (PubChem CID 19105347) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene.

Molecular Properties

Compound Name8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
PubChem CID19105347
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
SMILESCOCC1(COC)CCCC2CCCCC21
InChIInChI=1S/C14H26O2/c1-15-10-14(11-16-2)9-5-7-12-6-3-4-8-13(12)14/h12-13H,3-11H2,1-2H3
InChIKeyNVHGAFGVKUUSKV-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The IUPAC name of 8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene (CID 19105347) is 8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene.
What is the SMILES notation for 8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The canonical SMILES for 8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene is COCC1(COC)CCCC2CCCCC21.
What is the InChIKey of 8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The InChIKey is NVHGAFGVKUUSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-15-10-14(11-16-2)9-5-7-12-6-3-4-8-13(12)14/h12-13H,3-11H2,1-2H3.
What are the key properties of 8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene has a molecular weight of 226.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene is sourced from PubChem (CID 19105347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).