2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene

C15H24O2 — CID 11470390

IUPAC2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene
SMILESC=C1CC2(C)CC(COC)(COC)CC2=C1C
InChIInChI=1S/C15H24O2/c1-11-6-14(3)8-15(9-16-4,10-17-5)7-13(14)12(11)2/h1,6-10H2,2-5H3
InChIKeyYANQHUPSOZSIEV-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.34
Rot. Bonds4

About 2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene

2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene (PubChem CID 11470390) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene.

Molecular Properties

Compound Name2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene
PubChem CID11470390
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene
SMILESC=C1CC2(C)CC(COC)(COC)CC2=C1C
InChIInChI=1S/C15H24O2/c1-11-6-14(3)8-15(9-16-4,10-17-5)7-13(14)12(11)2/h1,6-10H2,2-5H3
InChIKeyYANQHUPSOZSIEV-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene?
The IUPAC name of 2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene (CID 11470390) is 2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene.
What is the SMILES notation for 2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene?
The canonical SMILES for 2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene is C=C1CC2(C)CC(COC)(COC)CC2=C1C.
What is the InChIKey of 2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene?
The InChIKey is YANQHUPSOZSIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-6-14(3)8-15(9-16-4,10-17-5)7-13(14)12(11)2/h1,6-10H2,2-5H3.
What are the key properties of 2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene?
2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene has a molecular weight of 236.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(methoxymethyl)-3a,6-dimethyl-5-methylidene-3,4-dihydro-1H-pentalene is sourced from PubChem (CID 11470390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).