heptoxycyclopropane

C10H20O — CID 54099544

IUPACheptoxycyclopropane
SMILESCCCCCCCOC1CC1
InChIInChI=1S/C10H20O/c1-2-3-4-5-6-9-11-10-7-8-10/h10H,2-9H2,1H3
InChIKeyASCSURUSNUHHIZ-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.14
Rot. Bonds7

About heptoxycyclopropane

heptoxycyclopropane (PubChem CID 54099544) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is heptoxycyclopropane.

Molecular Properties

Compound Nameheptoxycyclopropane
PubChem CID54099544
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Nameheptoxycyclopropane
SMILESCCCCCCCOC1CC1
InChIInChI=1S/C10H20O/c1-2-3-4-5-6-9-11-10-7-8-10/h10H,2-9H2,1H3
InChIKeyASCSURUSNUHHIZ-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.14
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-ethoxy-4-hexoxycyclohexane
CID 147022477
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
1-ethyl-4-hexoxycyclohexane
CID 142019346
4-pentoxypiperidine
CID 43167830
1-ethyl-4-(4-octoxycyclohexyl)cyclohexane
CID 18605379
1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane
CID 19738835
butoxycyclobutane
CID 54057236
3-hexoxycyclopentan-1-amine
CID 79464533
1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 71106589
4-(4-octoxycyclohexyl)cyclohexane-1-carbonitrile
CID 57058865
1-but-3-enoxy-4-(4-heptoxycyclohexyl)cyclohexane
CID 59498876

Frequently Asked Questions

What is the IUPAC name of heptoxycyclopropane?
The IUPAC name of heptoxycyclopropane (CID 54099544) is heptoxycyclopropane.
What is the SMILES notation for heptoxycyclopropane?
The canonical SMILES for heptoxycyclopropane is CCCCCCCOC1CC1.
What is the InChIKey of heptoxycyclopropane?
The InChIKey is ASCSURUSNUHHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-2-3-4-5-6-9-11-10-7-8-10/h10H,2-9H2,1H3.
What are the key properties of heptoxycyclopropane?
heptoxycyclopropane has a molecular weight of 156.27 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxycyclopropane is sourced from PubChem (CID 54099544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).