(6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene

C15H24 — CID 163105249

IUPAC(6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene
SMILESC=C1CCC2=C1CC[C@@H](C)[C@@H]2[C@@H](C)CC
InChIInChI=1S/C15H24/c1-5-10(2)15-12(4)7-8-13-11(3)6-9-14(13)15/h10,12,15H,3,5-9H2,1-2,4H3/t10-,12+,15-/m0/s1
InChIKeyNPKSUVAWVNLXQO-NVBFEUDRSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds2

About (6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene

(6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene (PubChem CID 163105249) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene.

Molecular Properties

Compound Name(6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene
PubChem CID163105249
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene
SMILESC=C1CCC2=C1CC[C@@H](C)[C@@H]2[C@@H](C)CC
InChIInChI=1S/C15H24/c1-5-10(2)15-12(4)7-8-13-11(3)6-9-14(13)15/h10,12,15H,3,5-9H2,1-2,4H3/t10-,12+,15-/m0/s1
InChIKeyNPKSUVAWVNLXQO-NVBFEUDRSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene?
The IUPAC name of (6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene (CID 163105249) is (6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene.
What is the SMILES notation for (6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene?
The canonical SMILES for (6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene is C=C1CCC2=C1CC[C@@H](C)[C@@H]2[C@@H](C)CC.
What is the InChIKey of (6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene?
The InChIKey is NPKSUVAWVNLXQO-NVBFEUDRSA-N. The full InChI is InChI=1S/C15H24/c1-5-10(2)15-12(4)7-8-13-11(3)6-9-14(13)15/h10,12,15H,3,5-9H2,1-2,4H3/t10-,12+,15-/m0/s1.
What are the key properties of (6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene?
(6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-7-[(2S)-butan-2-yl]-6-methyl-3-methylidene-1,2,4,5,6,7-hexahydroindene is sourced from PubChem (CID 163105249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).