2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene

C14H26O — CID 123989375

IUPAC2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene
SMILESC=C(C)C(CC)OC(C(=C)C)C(C)CC
InChIInChI=1S/C14H26O/c1-8-12(7)14(11(5)6)15-13(9-2)10(3)4/h12-14H,3,5,8-9H2,1-2,4,6-7H3
InChIKeyIDDYUKFOHFPYDE-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.35
Rot. Bonds7

About 2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene

2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene (PubChem CID 123989375) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene.

Molecular Properties

Compound Name2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene
PubChem CID123989375
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene
SMILESC=C(C)C(CC)OC(C(=C)C)C(C)CC
InChIInChI=1S/C14H26O/c1-8-12(7)14(11(5)6)15-13(9-2)10(3)4/h12-14H,3,5,8-9H2,1-2,4,6-7H3
InChIKeyIDDYUKFOHFPYDE-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
[(3S)-2-methylpent-1-en-3-yl] acetate
CID 129390449
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
2,3-dimethylpent-1-ene;ethane
CID 143286891
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
2-methyl-1-prop-1-en-2-yloxybutane
CID 123339026
4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene
CID 123860888
3-hydroperoxy-2-methylhex-1-ene
CID 12949710
3-methoxy-2-methylhex-1-ene
CID 123417422
butan-2-ol;2-prop-1-en-2-yloxybutane
CID 159582124
(2R)-3-hydroperoxy-4-methylpent-4-en-2-ol
CID 135040544
3-ethyl-2,7-dimethyloct-1-ene
CID 123570593

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene?
The IUPAC name of 2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene (CID 123989375) is 2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene.
What is the SMILES notation for 2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene?
The canonical SMILES for 2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene is C=C(C)C(CC)OC(C(=C)C)C(C)CC.
What is the InChIKey of 2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene?
The InChIKey is IDDYUKFOHFPYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-8-12(7)14(11(5)6)15-13(9-2)10(3)4/h12-14H,3,5,8-9H2,1-2,4,6-7H3.
What are the key properties of 2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene?
2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene has a molecular weight of 210.36 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene is sourced from PubChem (CID 123989375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).