(Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene

C35H72N2O3 — CID 160775618

IUPAC(Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene
SMILESCC/C(C)=C(/C)CC.CC/C(C)=C(/C)NC.CC/C(C)=C(/C)NC.CC/C(C)=C(/C)OC.CO/C(C)=C(/C)OC
InChIInChI=1S/C8H16.2C7H15N.C7H14O.C6H12O2/c1-5-7(3)8(4)6-2;3*1-5-6(2)7(3)8-4;1-5(7-3)6(2)8-4/h5-6H2,1-4H3;2*8H,5H2,1-4H3;5H2,1-4H3;1-4H3/b8-7-;3*7-6-;6-5-
InChIKeyRZXCTKUZENJRTL-ZXAKJAFGSA-N
MW568.97 g/mol
LogP10.83
Rot. Bonds10

About (Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene

(Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene (PubChem CID 160775618) has the molecular formula C35H72N2O3 and a molecular weight of 568.97 g/mol. Its IUPAC name is (Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene.

Molecular Properties

Compound Name(Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene
PubChem CID160775618
Molecular FormulaC35H72N2O3
Molecular Weight568.97 g/mol
Exact Mass568.55
IUPAC Name(Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene
SMILESCC/C(C)=C(/C)CC.CC/C(C)=C(/C)NC.CC/C(C)=C(/C)NC.CC/C(C)=C(/C)OC.CO/C(C)=C(/C)OC
InChIInChI=1S/C8H16.2C7H15N.C7H14O.C6H12O2/c1-5-7(3)8(4)6-2;3*1-5-6(2)7(3)8-4;1-5(7-3)6(2)8-4/h5-6H2,1-4H3;2*8H,5H2,1-4H3;5H2,1-4H3;1-4H3/b8-7-;3*7-6-;6-5-
InChIKeyRZXCTKUZENJRTL-ZXAKJAFGSA-N
XLogP10.83
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.97
LogP ≤ 510.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene?
The IUPAC name of (Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene (CID 160775618) is (Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene.
What is the SMILES notation for (Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene?
The canonical SMILES for (Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene is CC/C(C)=C(/C)CC.CC/C(C)=C(/C)NC.CC/C(C)=C(/C)NC.CC/C(C)=C(/C)OC.CO/C(C)=C(/C)OC.
What is the InChIKey of (Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene?
The InChIKey is RZXCTKUZENJRTL-ZXAKJAFGSA-N. The full InChI is InChI=1S/C8H16.2C7H15N.C7H14O.C6H12O2/c1-5-7(3)8(4)6-2;3*1-5-6(2)7(3)8-4;1-5(7-3)6(2)8-4/h5-6H2,1-4H3;2*8H,5H2,1-4H3;5H2,1-4H3;1-4H3/b8-7-;3*7-6-;6-5-.
What are the key properties of (Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene?
(Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene has a molecular weight of 568.97 g/mol, XLogP of 10.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dimethoxybut-2-ene;(Z)-3,4-dimethylhex-3-ene;bis((Z)-N,3-dimethylpent-2-en-2-amine);(Z)-2-methoxy-3-methylpent-2-ene is sourced from PubChem (CID 160775618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).