ethane;1-methoxy-2,4,5,9,9-pentamethyldecane

C20H46O — CID 171102890

IUPACethane;1-methoxy-2,4,5,9,9-pentamethyldecane
SMILESCC.CC.COCC(C)CC(C)C(C)CCCC(C)(C)C
InChIInChI=1S/C16H34O.2C2H6/c1-13(12-17-7)11-15(3)14(2)9-8-10-16(4,5)6;2*1-2/h13-15H,8-12H2,1-7H3;2*1-2H3
InChIKeyLMIQRWKLJDHPOP-UHFFFAOYSA-N
MW302.59 g/mol
LogP7.20
Rot. Bonds8

About ethane;1-methoxy-2,4,5,9,9-pentamethyldecane

ethane;1-methoxy-2,4,5,9,9-pentamethyldecane (PubChem CID 171102890) has the molecular formula C20H46O and a molecular weight of 302.59 g/mol. Its IUPAC name is ethane;1-methoxy-2,4,5,9,9-pentamethyldecane.

Molecular Properties

Compound Nameethane;1-methoxy-2,4,5,9,9-pentamethyldecane
PubChem CID171102890
Molecular FormulaC20H46O
Molecular Weight302.59 g/mol
Exact Mass302.35
IUPAC Nameethane;1-methoxy-2,4,5,9,9-pentamethyldecane
SMILESCC.CC.COCC(C)CC(C)C(C)CCCC(C)(C)C
InChIInChI=1S/C16H34O.2C2H6/c1-13(12-17-7)11-15(3)14(2)9-8-10-16(4,5)6;2*1-2/h13-15H,8-12H2,1-7H3;2*1-2H3
InChIKeyLMIQRWKLJDHPOP-UHFFFAOYSA-N
XLogP7.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.59
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-2,4,5,9,9-pentamethyldecane?
The IUPAC name of ethane;1-methoxy-2,4,5,9,9-pentamethyldecane (CID 171102890) is ethane;1-methoxy-2,4,5,9,9-pentamethyldecane.
What is the SMILES notation for ethane;1-methoxy-2,4,5,9,9-pentamethyldecane?
The canonical SMILES for ethane;1-methoxy-2,4,5,9,9-pentamethyldecane is CC.CC.COCC(C)CC(C)C(C)CCCC(C)(C)C.
What is the InChIKey of ethane;1-methoxy-2,4,5,9,9-pentamethyldecane?
The InChIKey is LMIQRWKLJDHPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.2C2H6/c1-13(12-17-7)11-15(3)14(2)9-8-10-16(4,5)6;2*1-2/h13-15H,8-12H2,1-7H3;2*1-2H3.
What are the key properties of ethane;1-methoxy-2,4,5,9,9-pentamethyldecane?
ethane;1-methoxy-2,4,5,9,9-pentamethyldecane has a molecular weight of 302.59 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-2,4,5,9,9-pentamethyldecane is sourced from PubChem (CID 171102890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).