ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol

C18H38O2 — CID 171644009

IUPACethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol
SMILESCC.CC(C)C(C)C1(O)CCC1.CCC1CCCCO1
InChIInChI=1S/C9H18O.C7H14O.C2H6/c1-7(2)8(3)9(10)5-4-6-9;1-2-7-5-3-4-6-8-7;1-2/h7-8,10H,4-6H2,1-3H3;7H,2-6H2,1H3;1-2H3
InChIKeyHNYMSVRYPDRSSI-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.19
Rot. Bonds3

About ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol

ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol (PubChem CID 171644009) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol.

Molecular Properties

Compound Nameethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol
PubChem CID171644009
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Nameethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol
SMILESCC.CC(C)C(C)C1(O)CCC1.CCC1CCCCO1
InChIInChI=1S/C9H18O.C7H14O.C2H6/c1-7(2)8(3)9(10)5-4-6-9;1-2-7-5-3-4-6-8-7;1-2/h7-8,10H,4-6H2,1-3H3;7H,2-6H2,1H3;1-2H3
InChIKeyHNYMSVRYPDRSSI-UHFFFAOYSA-N
XLogP5.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyloxolane
CID 641529
azane;2-ethyloxolane
CID 174465001
2-ethyl-5,5-dimethyloxane;2-ethyloxane
CID 165124837
N-(1-aminopropan-2-yl)-N-methyl-1-(oxan-2-yl)methanesulfonamide
CID 119982374
2-(2,3-dimethylbutyl)oxane
CID 167069415
1-[2-(oxan-2-yl)ethyl]cyclobutan-1-ol
CID 115073640
(2R)-2-(2-methylpropyl)oxane
CID 58653197
ethanol;oxan-2-ylmethanol
CID 66900182
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
2-ethyloxolane;trifluoroborane
CID 175114476
(2R)-2-[(Z)-pent-2-enyl]oxane
CID 154446695
1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol
CID 113391339

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol?
The IUPAC name of ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol (CID 171644009) is ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol.
What is the SMILES notation for ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol?
The canonical SMILES for ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol is CC.CC(C)C(C)C1(O)CCC1.CCC1CCCCO1.
What is the InChIKey of ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol?
The InChIKey is HNYMSVRYPDRSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C7H14O.C2H6/c1-7(2)8(3)9(10)5-4-6-9;1-2-7-5-3-4-6-8-7;1-2/h7-8,10H,4-6H2,1-3H3;7H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol?
ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol has a molecular weight of 286.50 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol is sourced from PubChem (CID 171644009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).