heptadecylidenecyclopropane

C20H38 — CID 19760704

IUPACheptadecylidenecyclopropane
SMILESCCCCCCCCCCCCCCCCC=C1CC1
InChIInChI=1S/C20H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-20/h17H,2-16,18-19H2,1H3
InChIKeyVKDGXPGWONNBTE-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.58
Rot. Bonds15

About heptadecylidenecyclopropane

heptadecylidenecyclopropane (PubChem CID 19760704) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is heptadecylidenecyclopropane.

Molecular Properties

Compound Nameheptadecylidenecyclopropane
PubChem CID19760704
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Nameheptadecylidenecyclopropane
SMILESCCCCCCCCCCCCCCCCC=C1CC1
InChIInChI=1S/C20H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-20/h17H,2-16,18-19H2,1H3
InChIKeyVKDGXPGWONNBTE-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 176570971
decylidenecyclobutane
CID 15365573
hexylidenecyclobutane
CID 86127710
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(4Z)-4-octylideneazepane
CID 103983605
(4Z)-4-nonylideneazepane
CID 103983668
3-octylidenepyrrolidine
CID 79879694
(3E)-3-dodecylidenepyrrolidine
CID 134081400
1,4-di(butylidene)cyclohexane
CID 175542706
pentylidenecyclopentadecane
CID 151655236
pentadeca-3,6,9-trienylidenecyclopropane
CID 54120383
pent-1-ene;pentylidenecyclopropane
CID 173050436

Frequently Asked Questions

What is the IUPAC name of heptadecylidenecyclopropane?
The IUPAC name of heptadecylidenecyclopropane (CID 19760704) is heptadecylidenecyclopropane.
What is the SMILES notation for heptadecylidenecyclopropane?
The canonical SMILES for heptadecylidenecyclopropane is CCCCCCCCCCCCCCCCC=C1CC1.
What is the InChIKey of heptadecylidenecyclopropane?
The InChIKey is VKDGXPGWONNBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-20/h17H,2-16,18-19H2,1H3.
What are the key properties of heptadecylidenecyclopropane?
heptadecylidenecyclopropane has a molecular weight of 278.52 g/mol, XLogP of 7.58, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecylidenecyclopropane is sourced from PubChem (CID 19760704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).