ethane;(Z)-2-methoxy-3-methylpent-2-ene

C13H32O — CID 144825663

IUPACethane;(Z)-2-methoxy-3-methylpent-2-ene
SMILESCC.CC.CC.CC/C(C)=C(/C)OC
InChIInChI=1S/C7H14O.3C2H6/c1-5-6(2)7(3)8-4;3*1-2/h5H2,1-4H3;3*1-2H3/b7-6-;;;
InChIKeyWGHZMEIPBITZQB-YYFHNNNUSA-N
MW204.40 g/mol
LogP5.42
Rot. Bonds2

About ethane;(Z)-2-methoxy-3-methylpent-2-ene

ethane;(Z)-2-methoxy-3-methylpent-2-ene (PubChem CID 144825663) has the molecular formula C13H32O and a molecular weight of 204.40 g/mol. Its IUPAC name is ethane;(Z)-2-methoxy-3-methylpent-2-ene.

Molecular Properties

Compound Nameethane;(Z)-2-methoxy-3-methylpent-2-ene
PubChem CID144825663
Molecular FormulaC13H32O
Molecular Weight204.40 g/mol
Exact Mass204.25
IUPAC Nameethane;(Z)-2-methoxy-3-methylpent-2-ene
SMILESCC.CC.CC.CC/C(C)=C(/C)OC
InChIInChI=1S/C7H14O.3C2H6/c1-5-6(2)7(3)8-4;3*1-2/h5H2,1-4H3;3*1-2H3/b7-6-;;;
InChIKeyWGHZMEIPBITZQB-YYFHNNNUSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.40
LogP ≤ 55.42
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-methoxy-3,4-dimethylhex-3-ene
CID 123765053
(Z)-3,4-dimethylhept-3-ene;ethane;propane
CID 144674690
methyl N-(3-methylpent-2-en-2-yl)ethanimidate
CID 123214364
(E)-4-methylhex-3-en-3-amine
CID 129020883
azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride
CID 174493764
4-methoxy-5-methylhepta-2,4-diene
CID 91556490
methyl (2Z)-2-(1-methoxyethylidene)-3-oxopentanoate
CID 58781562
CID 87773794
CID 87773794
2,3-dimethylpent-2-ene;propane
CID 162031516
azane;2,3-dimethylpent-2-ene
CID 87285665
(E)-1,1-dimethoxy-3,4-dimethylhex-3-ene
CID 10583333
(2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene
CID 143103707

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-methoxy-3-methylpent-2-ene?
The IUPAC name of ethane;(Z)-2-methoxy-3-methylpent-2-ene (CID 144825663) is ethane;(Z)-2-methoxy-3-methylpent-2-ene.
What is the SMILES notation for ethane;(Z)-2-methoxy-3-methylpent-2-ene?
The canonical SMILES for ethane;(Z)-2-methoxy-3-methylpent-2-ene is CC.CC.CC.CC/C(C)=C(/C)OC.
What is the InChIKey of ethane;(Z)-2-methoxy-3-methylpent-2-ene?
The InChIKey is WGHZMEIPBITZQB-YYFHNNNUSA-N. The full InChI is InChI=1S/C7H14O.3C2H6/c1-5-6(2)7(3)8-4;3*1-2/h5H2,1-4H3;3*1-2H3/b7-6-;;;.
What are the key properties of ethane;(Z)-2-methoxy-3-methylpent-2-ene?
ethane;(Z)-2-methoxy-3-methylpent-2-ene has a molecular weight of 204.40 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-methoxy-3-methylpent-2-ene is sourced from PubChem (CID 144825663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).