CID 21035959

C60H66 — CID 21035959

IUPAC—
SMILESC1C2CC3C4C1C1C5CC6C7CC8C9C(C5)C5C1C1C4C4C3C3C%10CC%11C2C6C2C7C6C8C7C8C9C9C5C1C1C4C4C3C3C%10C5C%11C2C2C6C7C6C(C52)C3C2C4C1C9C8C62
InChIInChI=1S/C60H66/c1-7-3-13-20-15-5-10-9(1)21-17-8-2-11-18(7)29-25(13)39-42-31(20)43-40-27(15)33-22(10)32(21)37-26-14(17)6-16-24-23-12(4-8)19(11)30-35(23)46-47-36(24)38-28(16)34(26)45-48(37)44(33)51(40)58-54(45)49(38)57-56(47)59(52(42)53(43)60(57)58)55(46)50(39)41(29)30/h7-60H,1-6H2
InChIKeyHAZBQKSUGJKBTB-UHFFFAOYSA-N
MW787.19 g/mol
LogP8.98
Rot. Bonds

About CID 21035959

CID 21035959 (PubChem CID 21035959) has the molecular formula C60H66 and a molecular weight of 787.19 g/mol.

Molecular Properties

Compound NameCID 21035959
PubChem CID21035959
Molecular FormulaC60H66
Molecular Weight787.19 g/mol
Exact Mass786.52
IUPAC Name—
SMILESC1C2CC3C4C1C1C5CC6C7CC8C9C(C5)C5C1C1C4C4C3C3C%10CC%11C2C6C2C7C6C8C7C8C9C9C5C1C1C4C4C3C3C%10C5C%11C2C2C6C7C6C(C52)C3C2C4C1C9C8C62
InChIInChI=1S/C60H66/c1-7-3-13-20-15-5-10-9(1)21-17-8-2-11-18(7)29-25(13)39-42-31(20)43-40-27(15)33-22(10)32(21)37-26-14(17)6-16-24-23-12(4-8)19(11)30-35(23)46-47-36(24)38-28(16)34(26)45-48(37)44(33)51(40)58-54(45)49(38)57-56(47)59(52(42)53(43)60(57)58)55(46)50(39)41(29)30/h7-60H,1-6H2
InChIKeyHAZBQKSUGJKBTB-UHFFFAOYSA-N
XLogP8.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.19
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 21035959?
The IUPAC name of CID 21035959 (CID 21035959) is not available.
What is the SMILES notation for CID 21035959?
The canonical SMILES for CID 21035959 is C1C2CC3C4C1C1C5CC6C7CC8C9C(C5)C5C1C1C4C4C3C3C%10CC%11C2C6C2C7C6C8C7C8C9C9C5C1C1C4C4C3C3C%10C5C%11C2C2C6C7C6C(C52)C3C2C4C1C9C8C62.
What is the InChIKey of CID 21035959?
The InChIKey is HAZBQKSUGJKBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H66/c1-7-3-13-20-15-5-10-9(1)21-17-8-2-11-18(7)29-25(13)39-42-31(20)43-40-27(15)33-22(10)32(21)37-26-14(17)6-16-24-23-12(4-8)19(11)30-35(23)46-47-36(24)38-28(16)34(26)45-48(37)44(33)51(40)58-54(45)49(38)57-56(47)59(52(42)53(43)60(57)58)55(46)50(39)41(29)30/h7-60H,1-6H2.
What are the key properties of CID 21035959?
CID 21035959 has a molecular weight of 787.19 g/mol, XLogP of 8.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21035959 is sourced from PubChem (CID 21035959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).