carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane

C15H28O3 — CID 70519875

IUPACcarbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane
SMILESCCCCCCCC=CC1CC1(C)C.O=C(O)O
InChIInChI=1S/C14H26.CH2O3/c1-4-5-6-7-8-9-10-11-13-12-14(13,2)3;2-1(3)4/h10-11,13H,4-9,12H2,1-3H3;(H2,2,3,4)
InChIKeyDPZPHTMEBSAJOD-UHFFFAOYSA-N
MW256.39 g/mol
LogP5.17
Rot. Bonds7

About carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane

carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane (PubChem CID 70519875) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane.

Molecular Properties

Compound Namecarbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane
PubChem CID70519875
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Namecarbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane
SMILESCCCCCCCC=CC1CC1(C)C.O=C(O)O
InChIInChI=1S/C14H26.CH2O3/c1-4-5-6-7-8-9-10-11-13-12-14(13,2)3;2-1(3)4/h10-11,13H,4-9,12H2,1-3H3;(H2,2,3,4)
InChIKeyDPZPHTMEBSAJOD-UHFFFAOYSA-N
XLogP5.17
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.17
H-Bond Donors ≤ 52
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

carbonic acid;(Z)-octadec-9-ene
CID 87599003
dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143482
2-non-1-enylcyclopropane-1-carboxylic acid
CID 57032997
acetic acid;(E)-tetradec-7-ene
CID 174697247
(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
CID 143897565
undec-2-enoic acid
CID 519180
(Z)-dodec-2-ene;propan-2-one
CID 175013676
(Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane
CID 174851085
but-2-enoic acid;(Z)-hexadec-5-ene
CID 175450029
carbonic acid;dodecanal
CID 87947916
1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 123833696
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane?
The IUPAC name of carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane (CID 70519875) is carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane.
What is the SMILES notation for carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane?
The canonical SMILES for carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane is CCCCCCCC=CC1CC1(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane?
The InChIKey is DPZPHTMEBSAJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26.CH2O3/c1-4-5-6-7-8-9-10-11-13-12-14(13,2)3;2-1(3)4/h10-11,13H,4-9,12H2,1-3H3;(H2,2,3,4).
What are the key properties of carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane?
carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane has a molecular weight of 256.39 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane is sourced from PubChem (CID 70519875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).