(Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene

C13H26O — CID 58798517

IUPAC(Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene
SMILESCC(C)(C)/C=C\COCCC(C)(C)C
InChIInChI=1S/C13H26O/c1-12(2,3)8-7-10-14-11-9-13(4,5)6/h7-8H,9-11H2,1-6H3/b8-7-
InChIKeyHWBHKMGNGMJGMW-FPLPWBNLSA-N
MW198.35 g/mol
LogP4.04
Rot. Bonds4

About (Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene

(Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene (PubChem CID 58798517) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene.

Molecular Properties

Compound Name(Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene
PubChem CID58798517
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene
SMILESCC(C)(C)/C=C\COCCC(C)(C)C
InChIInChI=1S/C13H26O/c1-12(2,3)8-7-10-14-11-9-13(4,5)6/h7-8H,9-11H2,1-6H3/b8-7-
InChIKeyHWBHKMGNGMJGMW-FPLPWBNLSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Ethoxy-4,4-dimethyl-2-pentene
CID 5358351
4-Tert-butyl-2,7-dihydrooxepine
CID 11094828
5-tert-butyl-5-methyl-2H-furan
CID 12507021
3,5-Ditert-butyl-2,7-dihydrooxepine
CID 14969639
1-Butoxyhex-2-ene
CID 545296
(E)-1-[(E)-pent-2-enoxy]pent-2-ene
CID 23302133
Neopentyl(diallyl)oxy
CID 129826984
2-Pentene, 1-ethoxy-4-methyl-, (Z)-
CID 5365079
1-[(E)-but-2-enoxy]-3-fluoro-2,2-dimethylbutane
CID 138726593
(6E)-8-Butoxy-1,6-octadiene
CID 5362673
2-Pentene, 1-(pentyloxy)-, (E)-
CID 5365000
1-Ethoxy-5,5-dimethyl-2-hexene
CID 6420737

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene?
The IUPAC name of (Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene (CID 58798517) is (Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene.
What is the SMILES notation for (Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene?
The canonical SMILES for (Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene is CC(C)(C)/C=C\COCCC(C)(C)C.
What is the InChIKey of (Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene?
The InChIKey is HWBHKMGNGMJGMW-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H26O/c1-12(2,3)8-7-10-14-11-9-13(4,5)6/h7-8H,9-11H2,1-6H3/b8-7-.
What are the key properties of (Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene?
(Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene has a molecular weight of 198.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,3-dimethylbutoxy)-4,4-dimethylpent-2-ene is sourced from PubChem (CID 58798517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).