2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene

C15H30O — CID 123576567

IUPAC2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene
SMILESCC(CCCC=CC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C15H30O/c1-13(16-15(5,6)7)11-9-8-10-12-14(2,3)4/h10,12-13H,8-9,11H2,1-7H3
InChIKeyULZDKHZDDHCTAN-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.96
Rot. Bonds5

About 2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene

2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene (PubChem CID 123576567) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene.

Molecular Properties

Compound Name2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene
PubChem CID123576567
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene
SMILESCC(CCCC=CC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C15H30O/c1-13(16-15(5,6)7)11-9-8-10-12-14(2,3)4/h10,12-13H,8-9,11H2,1-7H3
InChIKeyULZDKHZDDHCTAN-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 123712551
2,8,8-trimethylnon-6-enoic acid
CID 57003004
(Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene
CID 59344635
(E)-2,2,9-trimethyldec-4-ene
CID 176646418
(E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene
CID 89254898
12,12-dimethyltrideca-1,6,10-triene
CID 144926116
(E)-2,2-dimethylhept-3-ene
CID 5352650
(1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate
CID 88713492
tert-butyl-dimethyl-[(2R,6E,8E)-undeca-6,8,10-trien-2-yl]oxysilane
CID 11004320
(Z)-5,5-dimethylhex-3-en-1-ol
CID 117268008
(E)-2,12-dimethyltridec-6-ene
CID 176630963
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene?
The IUPAC name of 2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene (CID 123576567) is 2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene.
What is the SMILES notation for 2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene?
The canonical SMILES for 2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene is CC(CCCC=CC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene?
The InChIKey is ULZDKHZDDHCTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-13(16-15(5,6)7)11-9-8-10-12-14(2,3)4/h10,12-13H,8-9,11H2,1-7H3.
What are the key properties of 2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene?
2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene has a molecular weight of 226.40 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene is sourced from PubChem (CID 123576567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).