(1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene

C15H24 — CID 163047709

IUPAC(1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene
SMILESC=C[C@]1(C)CC[C@@]2(C)C(=CC[C@@H]2C)[C@H]1C
InChIInChI=1S/C15H24/c1-6-14(4)9-10-15(5)11(2)7-8-13(15)12(14)3/h6,8,11-12H,1,7,9-10H2,2-5H3/t11-,12+,14+,15+/m0/s1
InChIKeyWWXVUFOHSHXMKJ-CTHBEMJXSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds1

About (1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene

(1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene (PubChem CID 163047709) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Name(1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene
PubChem CID163047709
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene
SMILESC=C[C@]1(C)CC[C@@]2(C)C(=CC[C@@H]2C)[C@H]1C
InChIInChI=1S/C15H24/c1-6-14(4)9-10-15(5)11(2)7-8-13(15)12(14)3/h6,8,11-12H,1,7,9-10H2,2-5H3/t11-,12+,14+,15+/m0/s1
InChIKeyWWXVUFOHSHXMKJ-CTHBEMJXSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene with MolForge

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Related Compounds

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(1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane
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(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
(1R,4aR,8R,8aS,10aS)-8-ethenyl-1,4a,8-trimethyl-3,4,6,7,8a,9,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde
CID 58330134
(7S,8R,8aS)-4,4,7,8-tetramethyl-8-[(2Z)-3-methylpenta-2,4-dienyl]-1,2,3,6,7,8a-hexahydronaphthalene
CID 138964732
(4aS,5S,6R)-5-ethenyl-5,6-dimethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-one
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CID 134856113
(2S,4aS,4bR,10aS)-2-ethenyl-2,8,8-trimethyl-1,3,4,4a,4b,5,6,7,10,10a-decahydrophenanthrene
CID 101042420
(8R,9R,10R,13S,14S)-17-ethenyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
CID 70359505
(8R,9S,10R,13S,14S,17R)-17-ethenyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
CID 70359504
(8R,9R,10R,13S)-7-ethenyl-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 70168593
(1aR,4R,7R,7aS,7bR)-1,1,4,7-tetramethyl-2,3,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-4-ol
CID 10727672

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene?
The IUPAC name of (1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene (CID 163047709) is (1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene.
What is the SMILES notation for (1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene?
The canonical SMILES for (1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene is C=C[C@]1(C)CC[C@@]2(C)C(=CC[C@@H]2C)[C@H]1C.
What is the InChIKey of (1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene?
The InChIKey is WWXVUFOHSHXMKJ-CTHBEMJXSA-N. The full InChI is InChI=1S/C15H24/c1-6-14(4)9-10-15(5)11(2)7-8-13(15)12(14)3/h6,8,11-12H,1,7,9-10H2,2-5H3/t11-,12+,14+,15+/m0/s1.
What are the key properties of (1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene?
(1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-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 (1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 163047709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).