ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane

C20H42O — CID 164868577

IUPACethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane
SMILESCC.CC.CC1CCC12CCC2.COCC1(C)CCC1C
InChIInChI=1S/C8H16O.C8H14.2C2H6/c1-7-4-5-8(7,2)6-9-3;1-7-3-6-8(7)4-2-5-8;2*1-2/h7H,4-6H2,1-3H3;7H,2-6H2,1H3;2*1-2H3
InChIKeyQFHHRLKGYDAGOD-UHFFFAOYSA-N
MW298.56 g/mol
LogP6.71
Rot. Bonds2

About ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane

ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane (PubChem CID 164868577) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane.

Molecular Properties

Compound Nameethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane
PubChem CID164868577
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Nameethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane
SMILESCC.CC.CC1CCC12CCC2.COCC1(C)CCC1C
InChIInChI=1S/C8H16O.C8H14.2C2H6/c1-7-4-5-8(7,2)6-9-3;1-7-3-6-8(7)4-2-5-8;2*1-2/h7H,4-6H2,1-3H3;7H,2-6H2,1H3;2*1-2H3
InChIKeyQFHHRLKGYDAGOD-UHFFFAOYSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylspiro[3.5]nonane
CID 57473010
(9R)-9-methylspiro[3.5]nonane
CID 140885739
(4S)-4-methylspiro[4.4]nonane
CID 148967518
(3R)-7-ethyl-3-methylspiro[3.5]nonane
CID 163822270
ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine
CID 171819179
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
CID 65007363
1,2-dimethyl-1-prop-2-enylcyclopentane
CID 148975719
trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane
CID 163986686
(1,2-dimethylcyclopentyl)methanol
CID 544196
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
[1-(methoxymethyl)-2,2,3-trimethylcyclopentyl]methanesulfonic acid
CID 88867307
(2S)-1,1,2-trimethylcyclobutane
CID 59954523

Frequently Asked Questions

What is the IUPAC name of ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane?
The IUPAC name of ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane (CID 164868577) is ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane.
What is the SMILES notation for ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane?
The canonical SMILES for ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane is CC.CC.CC1CCC12CCC2.COCC1(C)CCC1C.
What is the InChIKey of ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane?
The InChIKey is QFHHRLKGYDAGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C8H14.2C2H6/c1-7-4-5-8(7,2)6-9-3;1-7-3-6-8(7)4-2-5-8;2*1-2/h7H,4-6H2,1-3H3;7H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane?
ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane has a molecular weight of 298.56 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane is sourced from PubChem (CID 164868577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).