CID 101373160

C32H53O2 — CID 101373160

IUPAC—
SMILESC/C(=C\CC1(C)CCc2c(cc(C)c([O])c2C)O1)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C32H53O2/c1-23(2)12-9-13-24(3)14-10-15-25(4)16-11-17-26(5)18-20-32(8)21-19-29-28(7)31(33)27(6)22-30(29)34-32/h18,22-25H,9-17,19-21H2,1-8H3/b26-18+/t24-,25-,32?/m1/s1
InChIKeyHTCUKZYUCXBNTH-RDHJHYBVSA-N
MW469.77 g/mol
LogP10.31
Rot. Bonds14

About CID 101373160

CID 101373160 (PubChem CID 101373160) has the molecular formula C32H53O2 and a molecular weight of 469.77 g/mol.

Molecular Properties

Compound NameCID 101373160
PubChem CID101373160
Molecular FormulaC32H53O2
Molecular Weight469.77 g/mol
Exact Mass469.40
IUPAC Name—
SMILESC/C(=C\CC1(C)CCc2c(cc(C)c([O])c2C)O1)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C32H53O2/c1-23(2)12-9-13-24(3)14-10-15-25(4)16-11-17-26(5)18-20-32(8)21-19-29-28(7)31(33)27(6)22-30(29)34-32/h18,22-25H,9-17,19-21H2,1-8H3/b26-18+/t24-,25-,32?/m1/s1
InChIKeyHTCUKZYUCXBNTH-RDHJHYBVSA-N
XLogP10.31
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.77
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101373160?
The IUPAC name of CID 101373160 (CID 101373160) is not available.
What is the SMILES notation for CID 101373160?
The canonical SMILES for CID 101373160 is C/C(=C\CC1(C)CCc2c(cc(C)c([O])c2C)O1)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of CID 101373160?
The InChIKey is HTCUKZYUCXBNTH-RDHJHYBVSA-N. The full InChI is InChI=1S/C32H53O2/c1-23(2)12-9-13-24(3)14-10-15-25(4)16-11-17-26(5)18-20-32(8)21-19-29-28(7)31(33)27(6)22-30(29)34-32/h18,22-25H,9-17,19-21H2,1-8H3/b26-18+/t24-,25-,32?/m1/s1.
What are the key properties of CID 101373160?
CID 101373160 has a molecular weight of 469.77 g/mol, XLogP of 10.31, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101373160 is sourced from PubChem (CID 101373160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).