(3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene

C10H16O2 — CID 143865057

IUPAC(3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene
SMILESC=C/C(OC)=C(\C=C)OCCC
InChIInChI=1S/C10H16O2/c1-5-8-12-10(7-3)9(6-2)11-4/h6-7H,2-3,5,8H2,1,4H3/b10-9-
InChIKeyQNBMIDGLJALWJQ-KTKRTIGZSA-N
MW168.24 g/mol
LogP2.64
Rot. Bonds6

About (3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene

(3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene (PubChem CID 143865057) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene
PubChem CID143865057
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene
SMILESC=C/C(OC)=C(\C=C)OCCC
InChIInChI=1S/C10H16O2/c1-5-8-12-10(7-3)9(6-2)11-4/h6-7H,2-3,5,8H2,1,4H3/b10-9-
InChIKeyQNBMIDGLJALWJQ-KTKRTIGZSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethane;(2E)-2-methylsulfanyl-3-propoxypenta-2,4-dienoic acid
CID 142472594
ethane;(3Z,5E)-3-ethoxy-4-methoxyocta-1,3,5-triene
CID 165130327
carbamic acid;propyl prop-2-enoate
CID 87571569
N-propan-2-ylpropan-2-amine;propyl prop-2-enoate
CID 175325942
(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine
CID 88960998
ethenoxyethene;propyl prop-2-enoate
CID 174744389
propyl N-ethenylcarbamate;silane
CID 174610345
(3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene
CID 138511621
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000
dimethoxy(propyl)silane;propyl prop-2-enoate
CID 174852514
5-[3-(4-methoxyhexa-1,3,5-trien-3-yloxy)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 123512908
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene?
The IUPAC name of (3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene (CID 143865057) is (3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene.
What is the SMILES notation for (3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene?
The canonical SMILES for (3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene is C=C/C(OC)=C(\C=C)OCCC.
What is the InChIKey of (3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene?
The InChIKey is QNBMIDGLJALWJQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-8-12-10(7-3)9(6-2)11-4/h6-7H,2-3,5,8H2,1,4H3/b10-9-.
What are the key properties of (3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene?
(3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene has a molecular weight of 168.24 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene is sourced from PubChem (CID 143865057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).