(3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene

C14H22 — CID 91595763

IUPAC(3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene
SMILESCC=CC1=C(C)CC[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C14H22/c1-4-6-12-11(2)8-10-14(3)9-5-7-13(12)14/h4,6,13H,5,7-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyQZERMPAJGVTXIN-KBPBESRZSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds1

About (3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene

(3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene (PubChem CID 91595763) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene.

Molecular Properties

Compound Name(3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene
PubChem CID91595763
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene
SMILESCC=CC1=C(C)CC[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C14H22/c1-4-6-12-11(2)8-10-14(3)9-5-7-13(12)14/h4,6,13H,5,7-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyQZERMPAJGVTXIN-KBPBESRZSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene with MolForge

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Related Compounds

(1S)-3-[(E)-2-[(3aR,7aS)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
CID 15558481
(3aR,9bS)-6-cyclopropyl-3a-methyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalene
CID 160711596
(3aR,9bS)-6-chloro-7-cyclopropyl-3a-methyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalene
CID 159461596
2,3-difluoro-1,1-dimethylcyclohexane
CID 118255177
(4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol
CID 71388370
1-[(4aR,8R,8aS)-8-amino-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]ethanone
CID 139355282
(3aR,9bR)-6-chloro-7-methoxy-3a-methyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalene
CID 160711595
(5R,10S,13S,14S)-10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 11868195
(3aS,7aS)-7a-methyl-6-(2-methylcyclopenten-1-yl)-2,3,3a,7-tetrahydro-1H-inden-4-one
CID 10955384
[(13S)-4-[(13S)-3,13-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-4-yl]-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-3-yl]phosphane
CID 59110904
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
(5S)-1-methylbicyclo[3.2.0]heptane
CID 142053045

Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene?
The IUPAC name of (3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene (CID 91595763) is (3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene.
What is the SMILES notation for (3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene?
The canonical SMILES for (3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene is CC=CC1=C(C)CC[C@]2(C)CCC[C@@H]12.
What is the InChIKey of (3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene?
The InChIKey is QZERMPAJGVTXIN-KBPBESRZSA-N. The full InChI is InChI=1S/C14H22/c1-4-6-12-11(2)8-10-14(3)9-5-7-13(12)14/h4,6,13H,5,7-10H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene?
(3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene has a molecular weight of 190.33 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-5,7a-dimethyl-4-prop-1-enyl-1,2,3,3a,6,7-hexahydroindene is sourced from PubChem (CID 91595763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).