(3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene

C15H24 — CID 12051853

IUPAC(3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene
SMILESCC(C)=CC1=C(C)CC[C@@H]2[C@@H](C)CC[C@@H]12
InChIInChI=1S/C15H24/c1-10(2)9-15-12(4)5-7-13-11(3)6-8-14(13)15/h9,11,13-14H,5-8H2,1-4H3/t11-,13+,14+/m0/s1
InChIKeyDYIPHXRUDGUQSJ-IACUBPJLSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

About (3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene

(3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene (PubChem CID 12051853) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene.

Molecular Properties

Compound Name(3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene
PubChem CID12051853
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene
SMILESCC(C)=CC1=C(C)CC[C@@H]2[C@@H](C)CC[C@@H]12
InChIInChI=1S/C15H24/c1-10(2)9-15-12(4)5-7-13-11(3)6-8-14(13)15/h9,11,13-14H,5-8H2,1-4H3/t11-,13+,14+/m0/s1
InChIKeyDYIPHXRUDGUQSJ-IACUBPJLSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene?
The IUPAC name of (3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene (CID 12051853) is (3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene.
What is the SMILES notation for (3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene?
The canonical SMILES for (3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene is CC(C)=CC1=C(C)CC[C@@H]2[C@@H](C)CC[C@@H]12.
What is the InChIKey of (3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene?
The InChIKey is DYIPHXRUDGUQSJ-IACUBPJLSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)9-15-12(4)5-7-13-11(3)6-8-14(13)15/h9,11,13-14H,5-8H2,1-4H3/t11-,13+,14+/m0/s1.
What are the key properties of (3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene?
(3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene is sourced from PubChem (CID 12051853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).