(1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene

C11H16 — CID 101249321

IUPAC(1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene
SMILESC[C@@H]1C2=C([C@H]3CC[C@@H]2C3)[C@H]1C
InChIInChI=1S/C11H16/c1-6-7(2)11-9-4-3-8(5-9)10(6)11/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9+/m0/s1
InChIKeyDKMZHQCIHICTSM-XSPKLOCKSA-N
MW148.25 g/mol
LogP3.00
Rot. Bonds

About (1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene

(1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene (PubChem CID 101249321) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene.

Molecular Properties

Compound Name(1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene
PubChem CID101249321
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene
SMILESC[C@@H]1C2=C([C@H]3CC[C@@H]2C3)[C@H]1C
InChIInChI=1S/C11H16/c1-6-7(2)11-9-4-3-8(5-9)10(6)11/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9+/m0/s1
InChIKeyDKMZHQCIHICTSM-XSPKLOCKSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.00
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,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene?
The IUPAC name of (1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene (CID 101249321) is (1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene.
What is the SMILES notation for (1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene?
The canonical SMILES for (1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene is C[C@@H]1C2=C([C@H]3CC[C@@H]2C3)[C@H]1C.
What is the InChIKey of (1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene?
The InChIKey is DKMZHQCIHICTSM-XSPKLOCKSA-N. The full InChI is InChI=1S/C11H16/c1-6-7(2)11-9-4-3-8(5-9)10(6)11/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9+/m0/s1.
What are the key properties of (1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene?
(1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene has a molecular weight of 148.25 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene is sourced from PubChem (CID 101249321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).