1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea

C33H52N2O2Si — CID 70854997

IUPAC1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C\CCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H52N2O2Si/c1-4-5-21-28-34-32(36)35-29-22-13-11-9-7-6-8-10-12-20-27-33(2,3)38(37,30-23-16-14-17-24-30)31-25-18-15-19-26-31/h7,9,14-19,23-26,37H,4-6,8,10-13,20-22,27-29H2,1-3H3,(H2,34,35,36)/b9-7-
InChIKeyKKYMLUJPHXCMEJ-CLFYSBASSA-N
MW536.88 g/mol
LogP7.08
Rot. Bonds19

About 1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea

1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea (PubChem CID 70854997) has the molecular formula C33H52N2O2Si and a molecular weight of 536.88 g/mol. Its IUPAC name is 1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea.

Molecular Properties

Compound Name1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea
PubChem CID70854997
Molecular FormulaC33H52N2O2Si
Molecular Weight536.88 g/mol
Exact Mass536.38
IUPAC Name1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C\CCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H52N2O2Si/c1-4-5-21-28-34-32(36)35-29-22-13-11-9-7-6-8-10-12-20-27-33(2,3)38(37,30-23-16-14-17-24-30)31-25-18-15-19-26-31/h7,9,14-19,23-26,37H,4-6,8,10-13,20-22,27-29H2,1-3H3,(H2,34,35,36)/b9-7-
InChIKeyKKYMLUJPHXCMEJ-CLFYSBASSA-N
XLogP7.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.88
LogP ≤ 57.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea?
The IUPAC name of 1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea (CID 70854997) is 1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea.
What is the SMILES notation for 1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea?
The canonical SMILES for 1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea is CCCCCNC(=O)NCCCC/C=C\CCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea?
The InChIKey is KKYMLUJPHXCMEJ-CLFYSBASSA-N. The full InChI is InChI=1S/C33H52N2O2Si/c1-4-5-21-28-34-32(36)35-29-22-13-11-9-7-6-8-10-12-20-27-33(2,3)38(37,30-23-16-14-17-24-30)31-25-18-15-19-26-31/h7,9,14-19,23-26,37H,4-6,8,10-13,20-22,27-29H2,1-3H3,(H2,34,35,36)/b9-7-.
What are the key properties of 1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea?
1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea has a molecular weight of 536.88 g/mol, XLogP of 7.08, 19 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea is sourced from PubChem (CID 70854997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).