(3Z)-2-butoxyhexa-1,3,5-triene

C10H16O — CID 142368588

IUPAC(3Z)-2-butoxyhexa-1,3,5-triene
SMILESC=C/C=C\C(=C)OCCCC
InChIInChI=1S/C10H16O/c1-4-6-8-10(3)11-9-7-5-2/h4,6,8H,1,3,5,7,9H2,2H3/b8-6-
InChIKeyMSTIWBKDXMOKBY-VURMDHGXSA-N
MW152.24 g/mol
LogP3.06
Rot. Bonds6

About (3Z)-2-butoxyhexa-1,3,5-triene

(3Z)-2-butoxyhexa-1,3,5-triene (PubChem CID 142368588) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z)-2-butoxyhexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2-butoxyhexa-1,3,5-triene
PubChem CID142368588
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3Z)-2-butoxyhexa-1,3,5-triene
SMILESC=C/C=C\C(=C)OCCCC
InChIInChI=1S/C10H16O/c1-4-6-8-10(3)11-9-7-5-2/h4,6,8H,1,3,5,7,9H2,2H3/b8-6-
InChIKeyMSTIWBKDXMOKBY-VURMDHGXSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-buta-1,3-dien-2-yloxydocosane
CID 166669930
butyl N-[(1E)-buta-1,3-dienyl]carbamate
CID 89306450
buta-1,3-diene;butyl hydrogen carbonate
CID 87173183
ethane;3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropan-1-ol;(5Z)-N-methyl-4-methylideneocta-5,7-dienamide
CID 142368602
methane;(3Z)-5-methylidenedeca-1,3-diene
CID 142806939
buta-1,3-diene;4-butoxycarbonylpenta-2,4-dienoic acid
CID 88761421
1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene
CID 142927052
formic acid;(3Z)-5-methylidenenona-1,3-diene
CID 143779048
3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol
CID 177319356
butyl prop-2-enoate;2-methylprop-2-enenitrile
CID 87899645
ethane;1-hexoxy-4-methylbenzene;(3Z)-2-methylhexa-1,3,5-triene
CID 143066662
[(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate
CID 130278986

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-butoxyhexa-1,3,5-triene?
The IUPAC name of (3Z)-2-butoxyhexa-1,3,5-triene (CID 142368588) is (3Z)-2-butoxyhexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2-butoxyhexa-1,3,5-triene?
The canonical SMILES for (3Z)-2-butoxyhexa-1,3,5-triene is C=C/C=C\C(=C)OCCCC.
What is the InChIKey of (3Z)-2-butoxyhexa-1,3,5-triene?
The InChIKey is MSTIWBKDXMOKBY-VURMDHGXSA-N. The full InChI is InChI=1S/C10H16O/c1-4-6-8-10(3)11-9-7-5-2/h4,6,8H,1,3,5,7,9H2,2H3/b8-6-.
What are the key properties of (3Z)-2-butoxyhexa-1,3,5-triene?
(3Z)-2-butoxyhexa-1,3,5-triene has a molecular weight of 152.24 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-butoxyhexa-1,3,5-triene is sourced from PubChem (CID 142368588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).