(1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane

C18H34O2 — CID 151507432

IUPAC(1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane
SMILESCCCCCCCCC(C1CC1)C(OC)(OC)C1CC1
InChIInChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-17(15-11-12-15)18(19-2,20-3)16-13-14-16/h15-17H,4-14H2,1-3H3
InChIKeyPRSNOUBISYABAW-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.16
Rot. Bonds12

About (1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane

(1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane (PubChem CID 151507432) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane.

Molecular Properties

Compound Name(1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane
PubChem CID151507432
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane
SMILESCCCCCCCCC(C1CC1)C(OC)(OC)C1CC1
InChIInChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-17(15-11-12-15)18(19-2,20-3)16-13-14-16/h15-17H,4-14H2,1-3H3
InChIKeyPRSNOUBISYABAW-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane
CID 152602584
1,1,1-tripropoxydecan-2-ylcyclopropane
CID 151363480
1,1,2-tricyclohexyldodecylphosphane
CID 67839264
1-cyclopropyloctylcyclopropane
CID 141276542
(2-cyclohexyl-1,1-dimethoxydecyl)benzene
CID 150097969
1-(4-tert-butylcyclohexyl)heptan-1-ol
CID 65400919
(2-chloro-2-methylnonadecan-3-yl)cyclohexane
CID 70371697
octan-2-ylcyclopropane
CID 18968125
5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene
CID 150250657
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropyltridecan-1-ol
CID 63410999

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane?
The IUPAC name of (1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane (CID 151507432) is (1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane.
What is the SMILES notation for (1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane?
The canonical SMILES for (1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane is CCCCCCCCC(C1CC1)C(OC)(OC)C1CC1.
What is the InChIKey of (1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane?
The InChIKey is PRSNOUBISYABAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-17(15-11-12-15)18(19-2,20-3)16-13-14-16/h15-17H,4-14H2,1-3H3.
What are the key properties of (1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane?
(1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane has a molecular weight of 282.47 g/mol, XLogP of 5.16, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane is sourced from PubChem (CID 151507432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).