ethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane

C24H44O2 — CID 142122044

IUPACethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane
SMILESCC.CC/C=C(\C=C1\CCCOC1)C1CC(C)C(COC(C)(C)CC)C1
InChIInChI=1S/C22H38O2.C2H6/c1-6-9-19(13-18-10-8-11-23-15-18)20-12-17(3)21(14-20)16-24-22(4,5)7-2;1-2/h9,13,17,20-21H,6-8,10-12,14-16H2,1-5H3;1-2H3/b18-13-,19-9+;
InChIKeyGKKMUXQLWRRRDA-PWIFMRFISA-N
MW364.61 g/mol
LogP6.95
Rot. Bonds7

About ethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane

ethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane (PubChem CID 142122044) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is ethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane.

Molecular Properties

Compound Nameethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane
PubChem CID142122044
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Nameethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane
SMILESCC.CC/C=C(\C=C1\CCCOC1)C1CC(C)C(COC(C)(C)CC)C1
InChIInChI=1S/C22H38O2.C2H6/c1-6-9-19(13-18-10-8-11-23-15-18)20-12-17(3)21(14-20)16-24-22(4,5)7-2;1-2/h9,13,17,20-21H,6-8,10-12,14-16H2,1-5H3;1-2H3/b18-13-,19-9+;
InChIKeyGKKMUXQLWRRRDA-PWIFMRFISA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane?
The IUPAC name of ethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane (CID 142122044) is ethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane.
What is the SMILES notation for ethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane?
The canonical SMILES for ethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane is CC.CC/C=C(\C=C1\CCCOC1)C1CC(C)C(COC(C)(C)CC)C1.
What is the InChIKey of ethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane?
The InChIKey is GKKMUXQLWRRRDA-PWIFMRFISA-N. The full InChI is InChI=1S/C22H38O2.C2H6/c1-6-9-19(13-18-10-8-11-23-15-18)20-12-17(3)21(14-20)16-24-22(4,5)7-2;1-2/h9,13,17,20-21H,6-8,10-12,14-16H2,1-5H3;1-2H3/b18-13-,19-9+;.
What are the key properties of ethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane?
ethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane has a molecular weight of 364.61 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-3-[(Z)-2-[3-methyl-4-(2-methylbutan-2-yloxymethyl)cyclopentyl]pent-2-enylidene]oxane is sourced from PubChem (CID 142122044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).