1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene

C40H74 — CID 173118712

IUPAC1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C=CC(CCCCCCCCCCCCCCCCC)=C1CCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H74/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39-37-36-38(3)40(39)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-37H,3-35H2,1-2H3
InChIKeyHGLPNSWYNMEZPR-UHFFFAOYSA-N
MW555.03 g/mol
LogP14.93
Rot. Bonds32

About 1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene

1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene (PubChem CID 173118712) has the molecular formula C40H74 and a molecular weight of 555.03 g/mol. Its IUPAC name is 1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene
PubChem CID173118712
Molecular FormulaC40H74
Molecular Weight555.03 g/mol
Exact Mass554.58
IUPAC Name1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C=CC(CCCCCCCCCCCCCCCCC)=C1CCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H74/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39-37-36-38(3)40(39)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-37H,3-35H2,1-2H3
InChIKeyHGLPNSWYNMEZPR-UHFFFAOYSA-N
XLogP14.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.03
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene with MolForge

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

Launch Full Analysis

Related Compounds

2,3-didecylcyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 175360456
3-hexyl-1,2-dimethyl-1H-silole
CID 173240913
1,5-dimethyl-2-octylcyclopenta-1,3-diene
CID 90487428
2-hexyl-1,5-dimethylcyclopenta-1,3-diene chloride
CID 90487594
(2,3-dibutylcyclopenta-2,4-dien-1-ylidene)-diphenylsilane
CID 22438235
5,10-dihexylindeno[2,1-a]indene
CID 139044126
ethene;undecane
CID 161157037
1,2,3-triheptyl-1H-silole
CID 175140524
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700

Frequently Asked Questions

What is the IUPAC name of 1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene?
The IUPAC name of 1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene (CID 173118712) is 1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene.
What is the SMILES notation for 1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene?
The canonical SMILES for 1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene is C=C1C=CC(CCCCCCCCCCCCCCCCC)=C1CCCCCCCCCCCCCCCCC.
What is the InChIKey of 1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene?
The InChIKey is HGLPNSWYNMEZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H74/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39-37-36-38(3)40(39)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-37H,3-35H2,1-2H3.
What are the key properties of 1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene?
1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene has a molecular weight of 555.03 g/mol, XLogP of 14.93, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene is sourced from PubChem (CID 173118712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).