4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene

C15H24 — CID 527107

IUPAC4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene
SMILESCC1=CCC2C1CC(C(C)C)C1CC21C
InChIInChI=1S/C15H24/c1-9(2)11-7-12-10(3)5-6-13(12)15(4)8-14(11)15/h5,9,11-14H,6-8H2,1-4H3
InChIKeyQTZAETFGONVPST-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.27
Rot. Bonds1

About 4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene

4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene (PubChem CID 527107) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene.

Molecular Properties

Compound Name4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene
PubChem CID527107
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene
SMILESCC1=CCC2C1CC(C(C)C)C1CC21C
InChIInChI=1S/C15H24/c1-9(2)11-7-12-10(3)5-6-13(12)15(4)8-14(11)15/h5,9,11-14H,6-8H2,1-4H3
InChIKeyQTZAETFGONVPST-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.27
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 4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene?
The IUPAC name of 4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene (CID 527107) is 4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene.
What is the SMILES notation for 4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene?
The canonical SMILES for 4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene is CC1=CCC2C1CC(C(C)C)C1CC21C.
What is the InChIKey of 4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene?
The InChIKey is QTZAETFGONVPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-9(2)11-7-12-10(3)5-6-13(12)15(4)8-14(11)15/h5,9,11-14H,6-8H2,1-4H3.
What are the key properties of 4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene?
4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene has a molecular weight of 204.36 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene is sourced from PubChem (CID 527107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).