(1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene

C15H24 — CID 162919512

IUPAC(1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene
SMILESCC1=CC[C@@H]2[C@H](C1)[C@H](C(C)C)[C@H]1C[C@@]21C
InChIInChI=1S/C15H24/c1-9(2)14-11-7-10(3)5-6-12(11)15(4)8-13(14)15/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m0/s1
InChIKeyPFXFABJPDNHACA-QRTUWBSPSA-N
MW204.36 g/mol
LogP4.27
Rot. Bonds1

About (1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene

(1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene (PubChem CID 162919512) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene.

Molecular Properties

Compound Name(1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene
PubChem CID162919512
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene
SMILESCC1=CC[C@@H]2[C@H](C1)[C@H](C(C)C)[C@H]1C[C@@]21C
InChIInChI=1S/C15H24/c1-9(2)14-11-7-10(3)5-6-12(11)15(4)8-13(14)15/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m0/s1
InChIKeyPFXFABJPDNHACA-QRTUWBSPSA-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'}

Analyze (1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene?
The IUPAC name of (1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene (CID 162919512) is (1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene.
What is the SMILES notation for (1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene?
The canonical SMILES for (1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene is CC1=CC[C@@H]2[C@H](C1)[C@H](C(C)C)[C@H]1C[C@@]21C.
What is the InChIKey of (1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene?
The InChIKey is PFXFABJPDNHACA-QRTUWBSPSA-N. The full InChI is InChI=1S/C15H24/c1-9(2)14-11-7-10(3)5-6-12(11)15(4)8-13(14)15/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m0/s1.
What are the key properties of (1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene?
(1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]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 (1aS,1bR,5aR,6S,6aR)-1a,4-dimethyl-6-propan-2-yl-1b,2,5,5a,6,6a-hexahydro-1H-cyclopropa[a]indene is sourced from PubChem (CID 162919512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).