(1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene

C15H24 — CID 22211718

IUPAC(1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene
SMILESCC1=CC[C@H]2C[C@@H]3[C@H](C)CC[C@@]13C2(C)C
InChIInChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h5,10,12-13H,6-9H2,1-4H3/t10-,12+,13-,15-/m1/s1
InChIKeyKVQOADNSNSUAJT-CQROYNQRSA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds

About (1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene

(1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene (PubChem CID 22211718) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene.

Molecular Properties

Compound Name(1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene
PubChem CID22211718
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene
SMILESCC1=CC[C@H]2C[C@@H]3[C@H](C)CC[C@@]13C2(C)C
InChIInChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h5,10,12-13H,6-9H2,1-4H3/t10-,12+,13-,15-/m1/s1
InChIKeyKVQOADNSNSUAJT-CQROYNQRSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene with MolForge

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Related Compounds

(1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene
CID 163000730
(3aS,6aS)-6,6a-dimethyl-2,3,3a,4-tetrahydro-1H-pentalene
CID 101365491
1,7a-dimethyl-3,3a,4,5,6,7-hexahydroindene-5-carbaldehyde
CID 130035554
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
3-methyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 101328351
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene-1-carbothialdehyde
CID 142672744
7-methyltricyclo[4.3.0.01,3]nonane
CID 123597135
(1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene
CID 91750213
(1R,4R,6R)-6-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-2-en-1-ol
CID 69046879

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene?
The IUPAC name of (1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene (CID 22211718) is (1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene.
What is the SMILES notation for (1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene?
The canonical SMILES for (1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene is CC1=CC[C@H]2C[C@@H]3[C@H](C)CC[C@@]13C2(C)C.
What is the InChIKey of (1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene?
The InChIKey is KVQOADNSNSUAJT-CQROYNQRSA-N. The full InChI is InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h5,10,12-13H,6-9H2,1-4H3/t10-,12+,13-,15-/m1/s1.
What are the key properties of (1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene?
(1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene has a molecular weight of 204.36 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene is sourced from PubChem (CID 22211718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).