(1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene

C14H22 — CID 165009215

IUPAC(1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene
SMILESCCC1C=CC2(CC)CC3C[C@H]3C[C@H]12
InChIInChI=1S/C14H22/c1-3-10-5-6-14(4-2)9-12-7-11(12)8-13(10)14/h5-6,10-13H,3-4,7-9H2,1-2H3/t10?,11-,12?,13+,14?/m0/s1
InChIKeyJLAPVXNTANATCS-KSODFNGISA-N
MW190.33 g/mol
LogP4.02
Rot. Bonds2

About (1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene

(1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene (PubChem CID 165009215) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene.

Molecular Properties

Compound Name(1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene
PubChem CID165009215
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene
SMILESCCC1C=CC2(CC)CC3C[C@H]3C[C@H]12
InChIInChI=1S/C14H22/c1-3-10-5-6-14(4-2)9-12-7-11(12)8-13(10)14/h5-6,10-13H,3-4,7-9H2,1-2H3/t10?,11-,12?,13+,14?/m0/s1
InChIKeyJLAPVXNTANATCS-KSODFNGISA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene?
The IUPAC name of (1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene (CID 165009215) is (1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene.
What is the SMILES notation for (1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene?
The canonical SMILES for (1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene is CCC1C=CC2(CC)CC3C[C@H]3C[C@H]12.
What is the InChIKey of (1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene?
The InChIKey is JLAPVXNTANATCS-KSODFNGISA-N. The full InChI is InChI=1S/C14H22/c1-3-10-5-6-14(4-2)9-12-7-11(12)8-13(10)14/h5-6,10-13H,3-4,7-9H2,1-2H3/t10?,11-,12?,13+,14?/m0/s1.
What are the key properties of (1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene?
(1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene has a molecular weight of 190.33 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene is sourced from PubChem (CID 165009215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).