3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene

C23H46 — CID 123700676

IUPAC3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene
SMILESCCC(C)(C=CC(CCC(C)CCC(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C23H46/c1-11-23(10,22(7,8)9)17-16-21(19(4)5)15-14-20(6)13-12-18(2)3/h16-21H,11-15H2,1-10H3
InChIKeyYFWXAXMBGXLSOS-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.13
Rot. Bonds10

About 3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene

3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene (PubChem CID 123700676) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene.

Molecular Properties

Compound Name3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene
PubChem CID123700676
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene
SMILESCCC(C)(C=CC(CCC(C)CCC(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C23H46/c1-11-23(10,22(7,8)9)17-16-21(19(4)5)15-14-20(6)13-12-18(2)3/h16-21H,11-15H2,1-10H3
InChIKeyYFWXAXMBGXLSOS-UHFFFAOYSA-N
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-5-propan-2-ylnon-3-ene
CID 123416955
3-ethyl-2,6,9-trimethyldecane
CID 91256736
2-ethyl-2,6-dimethylheptanethial
CID 57421669
2,5-dimethylheptane;propane
CID 145235091
2,5,9,13-tetramethyltetradecane
CID 58292409
3-chloro-2,2,6-trimethylnonane
CID 63460923
3-ethyl-2,2,3,7,11-pentamethyldodecane
CID 166045645
2,5-dimethylhexane;(E)-2,5-dimethylhex-3-ene
CID 160891186
2,3,3,4,7-pentamethyloctane-2-thiol
CID 142509004
3,5,8-trimethylnon-1-ene
CID 123935828
4-propan-2-ylhept-2-ene
CID 54114231
2-ethyl-2,6-dimethylheptanal
CID 57421645

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene?
The IUPAC name of 3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene (CID 123700676) is 3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene.
What is the SMILES notation for 3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene?
The canonical SMILES for 3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene is CCC(C)(C=CC(CCC(C)CCC(C)C)C(C)C)C(C)(C)C.
What is the InChIKey of 3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene?
The InChIKey is YFWXAXMBGXLSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-11-23(10,22(7,8)9)17-16-21(19(4)5)15-14-20(6)13-12-18(2)3/h16-21H,11-15H2,1-10H3.
What are the key properties of 3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene?
3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene has a molecular weight of 322.62 g/mol, XLogP of 8.13, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene is sourced from PubChem (CID 123700676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).