(3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane

C10H19ClO — CID 142330760

IUPAC(3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane
SMILESC=C(C)/C(Cl)=C(\CC)OC.CC
InChIInChI=1S/C8H13ClO.C2H6/c1-5-7(10-4)8(9)6(2)3;1-2/h2,5H2,1,3-4H3;1-2H3/b8-7-;
InChIKeyJWUAPMDIPDPXLQ-CFYXSCKTSA-N
MW190.71 g/mol
LogP4.10
Rot. Bonds3

About (3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane

(3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane (PubChem CID 142330760) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is (3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane.

Molecular Properties

Compound Name(3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane
PubChem CID142330760
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name(3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane
SMILESC=C(C)/C(Cl)=C(\CC)OC.CC
InChIInChI=1S/C8H13ClO.C2H6/c1-5-7(10-4)8(9)6(2)3;1-2/h2,5H2,1,3-4H3;1-2H3/b8-7-;
InChIKeyJWUAPMDIPDPXLQ-CFYXSCKTSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine
CID 137484755
3-chloro-2,4-dimethylpenta-1,3-diene
CID 13275142
1-chloro-1-methoxyethene
CID 20553412
methyl (Z)-2-(2-aminopropan-2-yl)-3-(2-methylprop-2-enoyloxy)pent-2-enoate
CID 142694354
(3E)-5-chloro-3-methoxy-2-methylhexa-1,3,5-triene;ethane
CID 144678723
methyl 2-methylprop-2-enoate;2-methylpent-1-en-3-one
CID 158562898
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
1,1-dichlorobut-1-en-2-yl acetate
CID 88784840
3-chloro-2-methoxy-3-methylbut-1-ene
CID 144521086
ethane;(Z)-2-methoxy-3-methylpent-2-ene
CID 144825663
butane;ethane;2-methylbut-1-ene
CID 142050807
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane?
The IUPAC name of (3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane (CID 142330760) is (3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane.
What is the SMILES notation for (3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane?
The canonical SMILES for (3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane is C=C(C)/C(Cl)=C(\CC)OC.CC.
What is the InChIKey of (3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane?
The InChIKey is JWUAPMDIPDPXLQ-CFYXSCKTSA-N. The full InChI is InChI=1S/C8H13ClO.C2H6/c1-5-7(10-4)8(9)6(2)3;1-2/h2,5H2,1,3-4H3;1-2H3/b8-7-;.
What are the key properties of (3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane?
(3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane has a molecular weight of 190.71 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-chloro-4-methoxy-2-methylhexa-1,3-diene;ethane is sourced from PubChem (CID 142330760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).