4,5,6,7,8-pentamethyl-5-propyldec-3-ene

C18H36 — CID 123493683

IUPAC4,5,6,7,8-pentamethyl-5-propyldec-3-ene
SMILESCCC=C(C)C(C)(CCC)C(C)C(C)C(C)CC
InChIInChI=1S/C18H36/c1-9-12-15(5)18(8,13-10-2)17(7)16(6)14(4)11-3/h12,14,16-17H,9-11,13H2,1-8H3
InChIKeyPWKQMFCRTQDHMW-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.47
Rot. Bonds8

About 4,5,6,7,8-pentamethyl-5-propyldec-3-ene

4,5,6,7,8-pentamethyl-5-propyldec-3-ene (PubChem CID 123493683) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 4,5,6,7,8-pentamethyl-5-propyldec-3-ene.

Molecular Properties

Compound Name4,5,6,7,8-pentamethyl-5-propyldec-3-ene
PubChem CID123493683
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name4,5,6,7,8-pentamethyl-5-propyldec-3-ene
SMILESCCC=C(C)C(C)(CCC)C(C)C(C)C(C)CC
InChIInChI=1S/C18H36/c1-9-12-15(5)18(8,13-10-2)17(7)16(6)14(4)11-3/h12,14,16-17H,9-11,13H2,1-8H3
InChIKeyPWKQMFCRTQDHMW-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.47
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

2,2,3,4,5-pentamethylheptane
CID 53428630
3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane
CID 90852009
5-methyl-5-propan-2-yloctan-4-one
CID 123521732
(Z)-1,1,1-trifluoro-2-methylpent-2-ene
CID 58901116
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
ethane;3,4,5,6,7,8,8,9,10,11,12,13,14-tridecamethylhexadecane
CID 159389585
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
(Z)-4,5-dimethylhept-3-ene
CID 142511472
2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid
CID 120517032
(4S)-2,3,4-trimethylhexane
CID 58359072
(Z)-2-propan-2-yloxypent-2-ene
CID 145137792
(E)-2-[(2-methylpropan-2-yl)oxy]pent-2-ene
CID 143560421

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8-pentamethyl-5-propyldec-3-ene?
The IUPAC name of 4,5,6,7,8-pentamethyl-5-propyldec-3-ene (CID 123493683) is 4,5,6,7,8-pentamethyl-5-propyldec-3-ene.
What is the SMILES notation for 4,5,6,7,8-pentamethyl-5-propyldec-3-ene?
The canonical SMILES for 4,5,6,7,8-pentamethyl-5-propyldec-3-ene is CCC=C(C)C(C)(CCC)C(C)C(C)C(C)CC.
What is the InChIKey of 4,5,6,7,8-pentamethyl-5-propyldec-3-ene?
The InChIKey is PWKQMFCRTQDHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-9-12-15(5)18(8,13-10-2)17(7)16(6)14(4)11-3/h12,14,16-17H,9-11,13H2,1-8H3.
What are the key properties of 4,5,6,7,8-pentamethyl-5-propyldec-3-ene?
4,5,6,7,8-pentamethyl-5-propyldec-3-ene has a molecular weight of 252.49 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8-pentamethyl-5-propyldec-3-ene is sourced from PubChem (CID 123493683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).