10,10-dimethylhenicos-2-ene

C23H46 — CID 123622091

IUPAC10,10-dimethylhenicos-2-ene
SMILESCC=CCCCCCCC(C)(C)CCCCCCCCCCC
InChIInChI=1S/C23H46/c1-5-7-9-11-13-14-16-18-20-22-23(3,4)21-19-17-15-12-10-8-6-2/h6,8H,5,7,9-22H2,1-4H3
InChIKeyMWKZERUEYQMJHS-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.85
Rot. Bonds17

About 10,10-dimethylhenicos-2-ene

10,10-dimethylhenicos-2-ene (PubChem CID 123622091) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 10,10-dimethylhenicos-2-ene.

Molecular Properties

Compound Name10,10-dimethylhenicos-2-ene
PubChem CID123622091
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name10,10-dimethylhenicos-2-ene
SMILESCC=CCCCCCCC(C)(C)CCCCCCCCCCC
InChIInChI=1S/C23H46/c1-5-7-9-11-13-14-16-18-20-22-23(3,4)21-19-17-15-12-10-8-6-2/h6,8H,5,7,9-22H2,1-4H3
InChIKeyMWKZERUEYQMJHS-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.85
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

8,8-dimethylundec-2-ene
CID 123615624
(Z)-icos-2-ene
CID 5352524
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
(Z)-oct-2-ene
CID 5356796
pentadeca-2,6-diene
CID 165019979
sodium;hydride;octadec-2-ene
CID 175594563
oct-2-ene;hydrochloride
CID 86744102
16,16,21,21-tetramethylhexatriacontane
CID 174880889
N-ethyl-N,4,4-trimethyltridec-11-en-1-amine
CID 174325557
pentadeca-2,10-diene
CID 174048350
(Z)-2,2-dimethylnonadec-7-ene
CID 176613705

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethylhenicos-2-ene?
The IUPAC name of 10,10-dimethylhenicos-2-ene (CID 123622091) is 10,10-dimethylhenicos-2-ene.
What is the SMILES notation for 10,10-dimethylhenicos-2-ene?
The canonical SMILES for 10,10-dimethylhenicos-2-ene is CC=CCCCCCCC(C)(C)CCCCCCCCCCC.
What is the InChIKey of 10,10-dimethylhenicos-2-ene?
The InChIKey is MWKZERUEYQMJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-5-7-9-11-13-14-16-18-20-22-23(3,4)21-19-17-15-12-10-8-6-2/h6,8H,5,7,9-22H2,1-4H3.
What are the key properties of 10,10-dimethylhenicos-2-ene?
10,10-dimethylhenicos-2-ene has a molecular weight of 322.62 g/mol, XLogP of 8.85, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethylhenicos-2-ene is sourced from PubChem (CID 123622091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).