(1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane

C15H24 — CID 22211634

IUPAC(1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane
SMILESC=C1[C@@H]2CC[C@@]3(C)[C@@H](C2)[C@@H](C)CC[C@@]13C
InChIInChI=1S/C15H24/c1-10-5-7-14(3)11(2)12-6-8-15(14,4)13(10)9-12/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12+,13-,14-,15-/m0/s1
InChIKeyQQWUXXGYAQMTAT-KLLKFSIISA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds

About (1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane

(1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane (PubChem CID 22211634) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane.

Molecular Properties

Compound Name(1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane
PubChem CID22211634
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane
SMILESC=C1[C@@H]2CC[C@@]3(C)[C@@H](C2)[C@@H](C)CC[C@@]13C
InChIInChI=1S/C15H24/c1-10-5-7-14(3)11(2)12-6-8-15(14,4)13(10)9-12/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12+,13-,14-,15-/m0/s1
InChIKeyQQWUXXGYAQMTAT-KLLKFSIISA-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'}

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane?
The IUPAC name of (1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane (CID 22211634) is (1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane.
What is the SMILES notation for (1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane?
The canonical SMILES for (1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane is C=C1[C@@H]2CC[C@@]3(C)[C@@H](C2)[C@@H](C)CC[C@@]13C.
What is the InChIKey of (1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane?
The InChIKey is QQWUXXGYAQMTAT-KLLKFSIISA-N. The full InChI is InChI=1S/C15H24/c1-10-5-7-14(3)11(2)12-6-8-15(14,4)13(10)9-12/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12+,13-,14-,15-/m0/s1.
What are the key properties of (1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane?
(1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane 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 (1R,3S,6S,7S,8S)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane is sourced from PubChem (CID 22211634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).