(Z)-13-propoxytridec-5-ene

C16H32O — CID 87204974

IUPAC(Z)-13-propoxytridec-5-ene
SMILESCCCC/C=C\CCCCCCCOCCC
InChIInChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17-15-4-2/h7-8H,3-6,9-16H2,1-2H3/b8-7-
InChIKeyDPDLXAMHUOZLHA-FPLPWBNLSA-N
MW240.43 g/mol
LogP5.50
Rot. Bonds13

About (Z)-13-propoxytridec-5-ene

(Z)-13-propoxytridec-5-ene (PubChem CID 87204974) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is (Z)-13-propoxytridec-5-ene.

Molecular Properties

Compound Name(Z)-13-propoxytridec-5-ene
PubChem CID87204974
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name(Z)-13-propoxytridec-5-ene
SMILESCCCC/C=C\CCCCCCCOCCC
InChIInChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17-15-4-2/h7-8H,3-6,9-16H2,1-2H3/b8-7-
InChIKeyDPDLXAMHUOZLHA-FPLPWBNLSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(2-propoxyethoxy)octadec-9-ene
CID 121476688
(Z)-1-butoxyheptadec-8-ene
CID 87205101
(Z)-13-ethoxytridec-5-ene
CID 87205027
1-undec-4-enoxyundec-4-ene
CID 91358832
(E)-9-propoxynon-2-ene
CID 22172137
8-propoxyoct-2-ene
CID 91802339
3-tetradec-9-enoxypropan-1-amine;hydrobromide
CID 173150601
15-ethoxypentadec-7-ene
CID 91170991
(Z)-1-ethoxynonadec-9-ene
CID 87517612
(Z)-1-ethoxypentadec-7-ene
CID 87516958
(E)-7-propoxyhept-2-ene
CID 173027066
1-icosa-5,8,11,14-tetraenoxyicosa-5,8,11,14-tetraene
CID 54078001

Frequently Asked Questions

What is the IUPAC name of (Z)-13-propoxytridec-5-ene?
The IUPAC name of (Z)-13-propoxytridec-5-ene (CID 87204974) is (Z)-13-propoxytridec-5-ene.
What is the SMILES notation for (Z)-13-propoxytridec-5-ene?
The canonical SMILES for (Z)-13-propoxytridec-5-ene is CCCC/C=C\CCCCCCCOCCC.
What is the InChIKey of (Z)-13-propoxytridec-5-ene?
The InChIKey is DPDLXAMHUOZLHA-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17-15-4-2/h7-8H,3-6,9-16H2,1-2H3/b8-7-.
What are the key properties of (Z)-13-propoxytridec-5-ene?
(Z)-13-propoxytridec-5-ene has a molecular weight of 240.43 g/mol, XLogP of 5.50, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-13-propoxytridec-5-ene is sourced from PubChem (CID 87204974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).