(1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene

C15H24 — CID 10104368

IUPAC(1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene
SMILESC=CC1=CC[C@@]2(C)[C@H](C)CC[C@@]2(C)[C@@H]1C
InChIInChI=1S/C15H24/c1-6-13-8-10-14(4)11(2)7-9-15(14,5)12(13)3/h6,8,11-12H,1,7,9-10H2,2-5H3/t11-,12-,14+,15+/m1/s1
InChIKeyPFLVCUHFTYXGSL-UXOAXIEHSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds1

About (1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene

(1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene (PubChem CID 10104368) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene.

Molecular Properties

Compound Name(1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene
PubChem CID10104368
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene
SMILESC=CC1=CC[C@@]2(C)[C@H](C)CC[C@@]2(C)[C@@H]1C
InChIInChI=1S/C15H24/c1-6-13-8-10-14(4)11(2)7-9-15(14,5)12(13)3/h6,8,11-12H,1,7,9-10H2,2-5H3/t11-,12-,14+,15+/m1/s1
InChIKeyPFLVCUHFTYXGSL-UXOAXIEHSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene?
The IUPAC name of (1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene (CID 10104368) is (1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene.
What is the SMILES notation for (1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene?
The canonical SMILES for (1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene is C=CC1=CC[C@@]2(C)[C@H](C)CC[C@@]2(C)[C@@H]1C.
What is the InChIKey of (1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene?
The InChIKey is PFLVCUHFTYXGSL-UXOAXIEHSA-N. The full InChI is InChI=1S/C15H24/c1-6-13-8-10-14(4)11(2)7-9-15(14,5)12(13)3/h6,8,11-12H,1,7,9-10H2,2-5H3/t11-,12-,14+,15+/m1/s1.
What are the key properties of (1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene?
(1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene has a molecular weight of 204.36 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene is sourced from PubChem (CID 10104368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).