1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane

C38H66 — CID 123205214

IUPAC1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane
SMILESCC1(C)C(C)(C)C2(C)C(C)(C1(C)C)C1(C)C2(C)C(C)(C)C2(C)C3(C)C4(C)C(C)(C)C(C)(C)C4(C)C3(C)C21C
InChIInChI=1S/C38H66/c1-23(2)24(3,4)29(13)30(14,25(23,5)6)35(19)33(29,17)28(11,12)34(18)36(20)31(15)26(7,8)27(9,10)32(31,16)37(36,21)38(34,35)22/h1-22H3
InChIKeyWTNDYSXYELZGMQ-UHFFFAOYSA-N
MW522.95 g/mol
LogP11.29
Rot. Bonds

About 1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane

1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane (PubChem CID 123205214) has the molecular formula C38H66 and a molecular weight of 522.95 g/mol. Its IUPAC name is 1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane.

Molecular Properties

Compound Name1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane
PubChem CID123205214
Molecular FormulaC38H66
Molecular Weight522.95 g/mol
Exact Mass522.52
IUPAC Name1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane
SMILESCC1(C)C(C)(C)C2(C)C(C)(C1(C)C)C1(C)C2(C)C(C)(C)C2(C)C3(C)C4(C)C(C)(C)C(C)(C)C4(C)C3(C)C21C
InChIInChI=1S/C38H66/c1-23(2)24(3,4)29(13)30(14,25(23,5)6)35(19)33(29,17)28(11,12)34(18)36(20)31(15)26(7,8)27(9,10)32(31,16)37(36,21)38(34,35)22/h1-22H3
InChIKeyWTNDYSXYELZGMQ-UHFFFAOYSA-N
XLogP11.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.95
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane?
The IUPAC name of 1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane (CID 123205214) is 1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane.
What is the SMILES notation for 1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane?
The canonical SMILES for 1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane is CC1(C)C(C)(C)C2(C)C(C)(C1(C)C)C1(C)C2(C)C(C)(C)C2(C)C3(C)C4(C)C(C)(C)C(C)(C)C4(C)C3(C)C21C.
What is the InChIKey of 1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane?
The InChIKey is WTNDYSXYELZGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H66/c1-23(2)24(3,4)29(13)30(14,25(23,5)6)35(19)33(29,17)28(11,12)34(18)36(20)31(15)26(7,8)27(9,10)32(31,16)37(36,21)38(34,35)22/h1-22H3.
What are the key properties of 1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane?
1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane has a molecular weight of 522.95 g/mol, XLogP of 11.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane is sourced from PubChem (CID 123205214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).