3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene

C16H30O — CID 173371776

IUPAC3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene
SMILESCCC=C(OC(=CCC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H30O/c1-9-11-13(15(3,4)5)17-14(12-10-2)16(6,7)8/h11-12H,9-10H2,1-8H3
InChIKeyOXRDSPMLAYEIDU-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.68
Rot. Bonds4

About 3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene

3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene (PubChem CID 173371776) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene.

Molecular Properties

Compound Name3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene
PubChem CID173371776
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene
SMILESCCC=C(OC(=CCC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H30O/c1-9-11-13(15(3,4)5)17-14(12-10-2)16(6,7)8/h11-12H,9-10H2,1-8H3
InChIKeyOXRDSPMLAYEIDU-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.68
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

2,2-dimethylhepta-3,6-dien-3-yl acetate
CID 91999737
(E)-2-[(2-methylpropan-2-yl)oxy]pent-2-ene
CID 143560421
2-tert-butylpent-2-eneperoxoic acid
CID 163286006
(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
ethyl 2-tert-butylpent-2-enoate
CID 174841205
(1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine
CID 134200134
4-tert-butyloct-3-ene
CID 123879820
(E)-1-bromo-2-[(2-methylpropan-2-yl)oxy]pent-2-ene
CID 142605952
2-(2-methoxypropan-2-yloxy)pent-2-ene
CID 90956610
methane;(Z)-3-methylhex-3-ene
CID 168892321
methane;(E)-3-methylhex-3-ene
CID 157350431

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene?
The IUPAC name of 3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene (CID 173371776) is 3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene.
What is the SMILES notation for 3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene?
The canonical SMILES for 3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene is CCC=C(OC(=CCC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene?
The InChIKey is OXRDSPMLAYEIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-9-11-13(15(3,4)5)17-14(12-10-2)16(6,7)8/h11-12H,9-10H2,1-8H3.
What are the key properties of 3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene?
3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene has a molecular weight of 238.41 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene is sourced from PubChem (CID 173371776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).