1-octyl-1-prop-2-enylcyclopropane

C14H26 — CID 134979265

IUPAC1-octyl-1-prop-2-enylcyclopropane
SMILESC=CCC1(CCCCCCCC)CC1
InChIInChI=1S/C14H26/c1-3-5-6-7-8-9-11-14(10-4-2)12-13-14/h4H,2-3,5-13H2,1H3
InChIKeyMIKLDIGXPDIVMJ-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.09
Rot. Bonds9

About 1-octyl-1-prop-2-enylcyclopropane

1-octyl-1-prop-2-enylcyclopropane (PubChem CID 134979265) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-octyl-1-prop-2-enylcyclopropane.

Molecular Properties

Compound Name1-octyl-1-prop-2-enylcyclopropane
PubChem CID134979265
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-octyl-1-prop-2-enylcyclopropane
SMILESC=CCC1(CCCCCCCC)CC1
InChIInChI=1S/C14H26/c1-3-5-6-7-8-9-11-14(10-4-2)12-13-14/h4H,2-3,5-13H2,1H3
InChIKeyMIKLDIGXPDIVMJ-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-hexyl-1-(2-methylbut-3-enyl)cyclopropane
CID 11735710
ethane;1-ethyl-1-hexylcyclopropane
CID 143025428
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
[(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol
CID 102316504
N-[(1-hexylcyclopropyl)methyl]propan-1-amine
CID 66026661
3,6-diethyl-3-hexyl-6-pentylazepane
CID 59903813
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330
1,1-dipentylcyclononane
CID 169026027
2-(1-dodecylcyclopropyl)acetic acid
CID 21495392
N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine
CID 71386349

Frequently Asked Questions

What is the IUPAC name of 1-octyl-1-prop-2-enylcyclopropane?
The IUPAC name of 1-octyl-1-prop-2-enylcyclopropane (CID 134979265) is 1-octyl-1-prop-2-enylcyclopropane.
What is the SMILES notation for 1-octyl-1-prop-2-enylcyclopropane?
The canonical SMILES for 1-octyl-1-prop-2-enylcyclopropane is C=CCC1(CCCCCCCC)CC1.
What is the InChIKey of 1-octyl-1-prop-2-enylcyclopropane?
The InChIKey is MIKLDIGXPDIVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-3-5-6-7-8-9-11-14(10-4-2)12-13-14/h4H,2-3,5-13H2,1H3.
What are the key properties of 1-octyl-1-prop-2-enylcyclopropane?
1-octyl-1-prop-2-enylcyclopropane has a molecular weight of 194.36 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-1-prop-2-enylcyclopropane is sourced from PubChem (CID 134979265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).