ethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane

C35H64 — CID 54200164

IUPACethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane
SMILESC=C1C(=C)C2C3CC(C)(C)CC3C3C(=C)C(=C)C4C(C)C(C)C1C2C43.CC.CC.CC.CC.CC
InChIInChI=1S/C25H34.5C2H6/c1-11-12(2)20-14(4)16(6)22-18-10-25(7,8)9-17(18)21-15(5)13(3)19(11)23(21)24(20)22;5*1-2/h11-12,17-24H,3-6,9-10H2,1-2,7-8H3;5*1-2H3
InChIKeyDKWXMQFIWGAQEE-UHFFFAOYSA-N
MW484.90 g/mol
LogP11.42
Rot. Bonds

About ethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane

ethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane (PubChem CID 54200164) has the molecular formula C35H64 and a molecular weight of 484.90 g/mol. Its IUPAC name is ethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane.

Molecular Properties

Compound Nameethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane
PubChem CID54200164
Molecular FormulaC35H64
Molecular Weight484.90 g/mol
Exact Mass484.50
IUPAC Nameethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane
SMILESC=C1C(=C)C2C3CC(C)(C)CC3C3C(=C)C(=C)C4C(C)C(C)C1C2C43.CC.CC.CC.CC.CC
InChIInChI=1S/C25H34.5C2H6/c1-11-12(2)20-14(4)16(6)22-18-10-25(7,8)9-17(18)21-15(5)13(3)19(11)23(21)24(20)22;5*1-2/h11-12,17-24H,3-6,9-10H2,1-2,7-8H3;5*1-2H3
InChIKeyDKWXMQFIWGAQEE-UHFFFAOYSA-N
XLogP11.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.90
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane?
The IUPAC name of ethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane (CID 54200164) is ethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane.
What is the SMILES notation for ethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane?
The canonical SMILES for ethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane is C=C1C(=C)C2C3CC(C)(C)CC3C3C(=C)C(=C)C4C(C)C(C)C1C2C43.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane?
The InChIKey is DKWXMQFIWGAQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34.5C2H6/c1-11-12(2)20-14(4)16(6)22-18-10-25(7,8)9-17(18)21-15(5)13(3)19(11)23(21)24(20)22;5*1-2/h11-12,17-24H,3-6,9-10H2,1-2,7-8H3;5*1-2H3.
What are the key properties of ethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane?
ethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane has a molecular weight of 484.90 g/mol, XLogP of 11.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,11,12-tetramethyl-8,9,14,15-tetramethylidenepentacyclo[8.5.2.02,6.07,17.013,16]heptadecane is sourced from PubChem (CID 54200164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).