(1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene

C15H24 — CID 162922247

IUPAC(1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
SMILESCC1=CC[C@]23[C@@H]([C@@H](C(C)C)CC[C@@H]2C)[C@@H]13
InChIInChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13+,14-,15-/m0/s1
InChIKeyXUEHVOLRMXNRKQ-QRTUWBSPSA-N
MW204.36 g/mol
LogP4.27
Rot. Bonds1

About (1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene

(1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene (PubChem CID 162922247) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene.

Molecular Properties

Compound Name(1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
PubChem CID162922247
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
SMILESCC1=CC[C@]23[C@@H]([C@@H](C(C)C)CC[C@@H]2C)[C@@H]13
InChIInChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13+,14-,15-/m0/s1
InChIKeyXUEHVOLRMXNRKQ-QRTUWBSPSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene with MolForge

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Related Compounds

(1R,5S,6S,7S,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one
CID 102420515
(1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one
CID 135016246
(1R,4S,5R,6R,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-ol
CID 122541122
4,7-dimethyl-1-propan-2-yl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
CID 162899785
(1R,6S,7S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
CID 25245021
(1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane
CID 146204575
(2R,6R,8R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
CID 163187113
(1S,5S,8R,11S)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane
CID 146204619
(5R,6S,9R,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
CID 135019810
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
(4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-yl)-methanidylazanium
CID 163151965
(2S,6S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene;(2S,6S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 165035030

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene?
The IUPAC name of (1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene (CID 162922247) is (1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene.
What is the SMILES notation for (1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene?
The canonical SMILES for (1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene is CC1=CC[C@]23[C@@H]([C@@H](C(C)C)CC[C@@H]2C)[C@@H]13.
What is the InChIKey of (1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene?
The InChIKey is XUEHVOLRMXNRKQ-QRTUWBSPSA-N. The full InChI is InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13+,14-,15-/m0/s1.
What are the key properties of (1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene?
(1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene has a molecular weight of 204.36 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene is sourced from PubChem (CID 162922247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).