(1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate

C40H46O4 — CID 71288071

IUPAC(1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate
SMILESCCC(CC(C)c1cccc2c(C(=O)OC3(C)CCCC3)cccc12)c1cccc2c(C(=O)OC3(C)CCCC3)cccc12
InChIInChI=1S/C40H46O4/c1-5-28(30-15-11-19-34-32(30)17-13-21-36(34)38(42)44-40(4)24-8-9-25-40)26-27(2)29-14-10-18-33-31(29)16-12-20-35(33)37(41)43-39(3)22-6-7-23-39/h10-21,27-28H,5-9,22-26H2,1-4H3
InChIKeyMHZRDNXEXTYKTL-UHFFFAOYSA-N
MW590.80 g/mol
LogP10.66
Rot. Bonds9

About (1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate

(1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate (PubChem CID 71288071) has the molecular formula C40H46O4 and a molecular weight of 590.80 g/mol. Its IUPAC name is (1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate
PubChem CID71288071
Molecular FormulaC40H46O4
Molecular Weight590.80 g/mol
Exact Mass590.34
IUPAC Name(1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate
SMILESCCC(CC(C)c1cccc2c(C(=O)OC3(C)CCCC3)cccc12)c1cccc2c(C(=O)OC3(C)CCCC3)cccc12
InChIInChI=1S/C40H46O4/c1-5-28(30-15-11-19-34-32(30)17-13-21-36(34)38(42)44-40(4)24-8-9-25-40)26-27(2)29-14-10-18-33-31(29)16-12-20-35(33)37(41)43-39(3)22-6-7-23-39/h10-21,27-28H,5-9,22-26H2,1-4H3
InChIKeyMHZRDNXEXTYKTL-UHFFFAOYSA-N
XLogP10.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.80
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate?
The IUPAC name of (1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate (CID 71288071) is (1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate.
What is the SMILES notation for (1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate?
The canonical SMILES for (1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate is CCC(CC(C)c1cccc2c(C(=O)OC3(C)CCCC3)cccc12)c1cccc2c(C(=O)OC3(C)CCCC3)cccc12.
What is the InChIKey of (1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate?
The InChIKey is MHZRDNXEXTYKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46O4/c1-5-28(30-15-11-19-34-32(30)17-13-21-36(34)38(42)44-40(4)24-8-9-25-40)26-27(2)29-14-10-18-33-31(29)16-12-20-35(33)37(41)43-39(3)22-6-7-23-39/h10-21,27-28H,5-9,22-26H2,1-4H3.
What are the key properties of (1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate?
(1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate has a molecular weight of 590.80 g/mol, XLogP of 10.66, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate is sourced from PubChem (CID 71288071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).