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

C15H24 — CID 91750213

IUPAC(1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene
SMILESCC1=C2C[C@@H]3CC[C@H](C)[C@@]2(CC1)C3(C)C
InChIInChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3/t11-,12-,15+/m0/s1
InChIKeyRTBLDXVIGWSICW-SLEUVZQESA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds

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

(1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene (PubChem CID 91750213) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene.

Molecular Properties

Compound Name(1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene
PubChem CID91750213
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene
SMILESCC1=C2C[C@@H]3CC[C@H](C)[C@@]2(CC1)C3(C)C
InChIInChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3/t11-,12-,15+/m0/s1
InChIKeyRTBLDXVIGWSICW-SLEUVZQESA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene?
The IUPAC name of (1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene (CID 91750213) is (1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene.
What is the SMILES notation for (1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene?
The canonical SMILES for (1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene is CC1=C2C[C@@H]3CC[C@H](C)[C@@]2(CC1)C3(C)C.
What is the InChIKey of (1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene?
The InChIKey is RTBLDXVIGWSICW-SLEUVZQESA-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/h11-12H,5-9H2,1-4H3/t11-,12-,15+/m0/s1.
What are the key properties of (1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene?
(1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene has a molecular weight of 204.36 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene is sourced from PubChem (CID 91750213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).