1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene

C14H26O — CID 91211835

IUPAC1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene
SMILESCC(C)(C)CC=COC=CCC(C)(C)C
InChIInChI=1S/C14H26O/c1-13(2,3)9-7-11-15-12-8-10-14(4,5)6/h7-8,11-12H,9-10H2,1-6H3
InChIKeyMWRJJEDQKZWLGY-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.90
Rot. Bonds4

About 1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene

1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene (PubChem CID 91211835) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene
PubChem CID91211835
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene
SMILESCC(C)(C)CC=COC=CCC(C)(C)C
InChIInChI=1S/C14H26O/c1-13(2,3)9-7-11-15-12-8-10-14(4,5)6/h7-8,11-12H,9-10H2,1-6H3
InChIKeyMWRJJEDQKZWLGY-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Dipentenyloxyd
CID 54419578
1-(3,3-Dimethylbut-1-enoxy)-3,3-dimethylbut-1-ene
CID 57202046
cis-(3,3-Dimethyl-1-butenyl) ethyl ether
CID 5462966
5-Methoxy-3,3-dimethylpent-1-ene
CID 14738109
3,5,5-Trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene
CID 91174949
tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane
CID 10388012
(Z)-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
CID 102396973
(3E)-3-(ethoxymethylidene)-4-methylpent-1-ene
CID 134867560
cis-(4-Methyl-1-pentenyl) ethyl ether
CID 5462938
1-Ethoxy-4-methylpent-1-ene
CID 140159
1-Ethoxy-3,3-dimethylbut-1-ene
CID 140453
Ether, 3,3-dimethyl-1-butenyl ethyl
CID 5462937

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene?
The IUPAC name of 1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene (CID 91211835) is 1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene.
What is the SMILES notation for 1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene?
The canonical SMILES for 1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene is CC(C)(C)CC=COC=CCC(C)(C)C.
What is the InChIKey of 1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene?
The InChIKey is MWRJJEDQKZWLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-13(2,3)9-7-11-15-12-8-10-14(4,5)6/h7-8,11-12H,9-10H2,1-6H3.
What are the key properties of 1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene?
1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene has a molecular weight of 210.36 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpent-1-enoxy)-4,4-dimethylpent-1-ene is sourced from PubChem (CID 91211835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).