(3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene

C13H22O — CID 144808222

IUPAC(3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)OC(C)CCCC
InChIInChI=1S/C13H22O/c1-5-8-10-12(4)14-13(7-3)11-9-6-2/h6-7,9,11-12H,2,5,8,10H2,1,3-4H3/b11-9-,13-7+
InChIKeyRPBMHOONFMTWES-GHCBDELPSA-N
MW194.32 g/mol
LogP4.23
Rot. Bonds7

About (3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene

(3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene (PubChem CID 144808222) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene
PubChem CID144808222
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)OC(C)CCCC
InChIInChI=1S/C13H22O/c1-5-8-10-12(4)14-13(7-3)11-9-6-2/h6-7,9,11-12H,2,5,8,10H2,1,3-4H3/b11-9-,13-7+
InChIKeyRPBMHOONFMTWES-GHCBDELPSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.23
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

(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667
(3Z,5E)-5-methoxydeca-1,3,5-triene
CID 145391525
hexan-2-yl 3-hydroxyprop-2-enoate
CID 173374919
5-methylnona-1,3-diene
CID 90893682
2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol
CID 143068364
hexan-2-yl acetate;methane
CID 159910641
[(2R)-hexan-2-yl] carbonochloridate
CID 124629804
hexan-2-yl propanoate
CID 54289868
hexan-2-yl N,N-dichlorocarbamate
CID 23320294
3-ethyl-2-hexan-2-yloxynon-1-ene
CID 87707637
sodium;dioctan-2-yl (Z)-but-2-enedioate;hydride
CID 174987256
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene (CID 144808222) is (3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene is C=C/C=C\C(=C/C)OC(C)CCCC.
What is the InChIKey of (3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene?
The InChIKey is RPBMHOONFMTWES-GHCBDELPSA-N. The full InChI is InChI=1S/C13H22O/c1-5-8-10-12(4)14-13(7-3)11-9-6-2/h6-7,9,11-12H,2,5,8,10H2,1,3-4H3/b11-9-,13-7+.
What are the key properties of (3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene?
(3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene has a molecular weight of 194.32 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene is sourced from PubChem (CID 144808222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).