1-nonoxycyclopenta-1,3-diene

C14H24O — CID 175032458

IUPAC1-nonoxycyclopenta-1,3-diene
SMILESCCCCCCCCCOC1=CC=CC1
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-7-10-13-15-14-11-8-9-12-14/h8-9,11H,2-7,10,12-13H2,1H3
InChIKeyRJKPBGYAVIVLEA-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.60
Rot. Bonds9

About 1-nonoxycyclopenta-1,3-diene

1-nonoxycyclopenta-1,3-diene (PubChem CID 175032458) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-nonoxycyclopenta-1,3-diene.

Molecular Properties

Compound Name1-nonoxycyclopenta-1,3-diene
PubChem CID175032458
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-nonoxycyclopenta-1,3-diene
SMILESCCCCCCCCCOC1=CC=CC1
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-7-10-13-15-14-11-8-9-12-14/h8-9,11H,2-7,10,12-13H2,1H3
InChIKeyRJKPBGYAVIVLEA-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene
CID 13032212
ethane;1-propoxycyclohepta-1,3,5-triene
CID 142183410
1-butoxycyclohexa-1,4-diene
CID 11147826
2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine
CID 141244938
4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine
CID 150879806
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
dodecylmercury;hydrate
CID 78070234
9,10-diheptoxy-1,4-dihydroanthracene
CID 153323236
9,10-dihexoxy-1,4-dihydroanthracene
CID 139881183
1-methyl-3-octoxycyclohex-3-ene-1-carbaldehyde
CID 142267503

Frequently Asked Questions

What is the IUPAC name of 1-nonoxycyclopenta-1,3-diene?
The IUPAC name of 1-nonoxycyclopenta-1,3-diene (CID 175032458) is 1-nonoxycyclopenta-1,3-diene.
What is the SMILES notation for 1-nonoxycyclopenta-1,3-diene?
The canonical SMILES for 1-nonoxycyclopenta-1,3-diene is CCCCCCCCCOC1=CC=CC1.
What is the InChIKey of 1-nonoxycyclopenta-1,3-diene?
The InChIKey is RJKPBGYAVIVLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-2-3-4-5-6-7-10-13-15-14-11-8-9-12-14/h8-9,11H,2-7,10,12-13H2,1H3.
What are the key properties of 1-nonoxycyclopenta-1,3-diene?
1-nonoxycyclopenta-1,3-diene has a molecular weight of 208.34 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonoxycyclopenta-1,3-diene is sourced from PubChem (CID 175032458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).