5-methoxy-2,5-dimethylhex-2-ene

C9H18O — CID 10351802

IUPAC5-methoxy-2,5-dimethylhex-2-ene
SMILESCOC(C)(C)CC=C(C)C
InChIInChI=1S/C9H18O/c1-8(2)6-7-9(3,4)10-5/h6H,7H2,1-5H3
InChIKeyYEIRTEWLBSNGQV-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds3

About 5-methoxy-2,5-dimethylhex-2-ene

5-methoxy-2,5-dimethylhex-2-ene (PubChem CID 10351802) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 5-methoxy-2,5-dimethylhex-2-ene.

Molecular Properties

Compound Name5-methoxy-2,5-dimethylhex-2-ene
PubChem CID10351802
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name5-methoxy-2,5-dimethylhex-2-ene
SMILESCOC(C)(C)CC=C(C)C
InChIInChI=1S/C9H18O/c1-8(2)6-7-9(3,4)10-5/h6H,7H2,1-5H3
InChIKeyYEIRTEWLBSNGQV-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
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

(E)-5-methoxy-2,5-dimethylhex-2-en-1-ol
CID 87273202
6-methoxy-2,6-dimethylhept-2-ene
CID 14793993
methyl 2,2,5-trimethylhex-4-enoate
CID 550269
(NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine
CID 88709290
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22Z,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene
CID 5388232
5-ethyl-2,5-dimethylhept-2-ene
CID 123530387
(E)-5-methoxy-3,5-dimethylhex-2-en-1-ol
CID 87273401
(3R)-3,6-dimethylhept-5-ene-1,3-diol
CID 154719567
5-isocyano-2,5-dimethylhex-2-ene
CID 59350160
3,3,6-trimethylhept-5-en-1-ol
CID 20504089
(6E,10E,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene
CID 155926556
(4Z,6E,8E,10E,14E,16Z,18E,20E,22E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,14,16,18,20,22,26,28-undecaene
CID 156583290

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,5-dimethylhex-2-ene?
The IUPAC name of 5-methoxy-2,5-dimethylhex-2-ene (CID 10351802) is 5-methoxy-2,5-dimethylhex-2-ene.
What is the SMILES notation for 5-methoxy-2,5-dimethylhex-2-ene?
The canonical SMILES for 5-methoxy-2,5-dimethylhex-2-ene is COC(C)(C)CC=C(C)C.
What is the InChIKey of 5-methoxy-2,5-dimethylhex-2-ene?
The InChIKey is YEIRTEWLBSNGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)6-7-9(3,4)10-5/h6H,7H2,1-5H3.
What are the key properties of 5-methoxy-2,5-dimethylhex-2-ene?
5-methoxy-2,5-dimethylhex-2-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,5-dimethylhex-2-ene is sourced from PubChem (CID 10351802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).