CID 11051395

C32H51 — CID 11051395

IUPAC—
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([C]5[CH][CH][CH][CH]5)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C32H51/c1-22(2)9-8-10-23(3)28-15-16-29-27-14-13-26-21-25(24-11-6-7-12-24)17-19-31(26,4)30(27)18-20-32(28,29)5/h6-7,11-12,22-23,25-30H,8-10,13-21H2,1-5H3/t23-,25+,26+,27+,28-,29+,30+,31+,32-/m1/s1
InChIKeyVZJCSROOWYIBIQ-ZITGZWIUSA-N
MW435.76 g/mol
LogP9.13
Rot. Bonds6

About CID 11051395

CID 11051395 (PubChem CID 11051395) has the molecular formula C32H51 and a molecular weight of 435.76 g/mol.

Molecular Properties

Compound NameCID 11051395
PubChem CID11051395
Molecular FormulaC32H51
Molecular Weight435.76 g/mol
Exact Mass435.40
IUPAC Name—
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([C]5[CH][CH][CH][CH]5)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C32H51/c1-22(2)9-8-10-23(3)28-15-16-29-27-14-13-26-21-25(24-11-6-7-12-24)17-19-31(26,4)30(27)18-20-32(28,29)5/h6-7,11-12,22-23,25-30H,8-10,13-21H2,1-5H3/t23-,25+,26+,27+,28-,29+,30+,31+,32-/m1/s1
InChIKeyVZJCSROOWYIBIQ-ZITGZWIUSA-N
XLogP9.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.76
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5S,8R,9S,10S,13R,14S,17R)-3-(4-chlorophenyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162483817
(3S,5S,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 162919370
(3R,5S)-3-chloro-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 2780732
(5S,8R,9S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 70575638
(3S,10S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 71090883
10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 70792447
(3R,5S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 45044206
3-tert-butyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 76670874
(3S,5S,8R,14S)-3-ethyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 59180767
[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-dimethylgermane
CID 173220419
(3S,5R,8R,9S,10S,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 129265240
[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
CID 11070582

Frequently Asked Questions

What is the IUPAC name of CID 11051395?
The IUPAC name of CID 11051395 (CID 11051395) is not available.
What is the SMILES notation for CID 11051395?
The canonical SMILES for CID 11051395 is CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([C]5[CH][CH][CH][CH]5)CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of CID 11051395?
The InChIKey is VZJCSROOWYIBIQ-ZITGZWIUSA-N. The full InChI is InChI=1S/C32H51/c1-22(2)9-8-10-23(3)28-15-16-29-27-14-13-26-21-25(24-11-6-7-12-24)17-19-31(26,4)30(27)18-20-32(28,29)5/h6-7,11-12,22-23,25-30H,8-10,13-21H2,1-5H3/t23-,25+,26+,27+,28-,29+,30+,31+,32-/m1/s1.
What are the key properties of CID 11051395?
CID 11051395 has a molecular weight of 435.76 g/mol, XLogP of 9.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11051395 is sourced from PubChem (CID 11051395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).