(Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene

C12H22O — CID 89324738

IUPAC(Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene
SMILESC=C(CC)O/C(=C\C)CC(C)(C)C
InChIInChI=1S/C12H22O/c1-7-10(3)13-11(8-2)9-12(4,5)6/h8H,3,7,9H2,1-2,4-6H3/b11-8-
InChIKeyWEVABKBZUPFDMH-FLIBITNWSA-N
MW182.31 g/mol
LogP4.27
Rot. Bonds4

About (Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene

(Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene (PubChem CID 89324738) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene.

Molecular Properties

Compound Name(Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene
PubChem CID89324738
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene
SMILESC=C(CC)O/C(=C\C)CC(C)(C)C
InChIInChI=1S/C12H22O/c1-7-10(3)13-11(8-2)9-12(4,5)6/h8H,3,7,9H2,1-2,4-6H3/b11-8-
InChIKeyWEVABKBZUPFDMH-FLIBITNWSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.27
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene?
The IUPAC name of (Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene (CID 89324738) is (Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene.
What is the SMILES notation for (Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene?
The canonical SMILES for (Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene is C=C(CC)O/C(=C\C)CC(C)(C)C.
What is the InChIKey of (Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene?
The InChIKey is WEVABKBZUPFDMH-FLIBITNWSA-N. The full InChI is InChI=1S/C12H22O/c1-7-10(3)13-11(8-2)9-12(4,5)6/h8H,3,7,9H2,1-2,4-6H3/b11-8-.
What are the key properties of (Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene?
(Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene has a molecular weight of 182.31 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene is sourced from PubChem (CID 89324738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).