(1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene

C14H20 — CID 102508391

IUPAC(1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene
SMILESC=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2
InChIInChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1
InChIKeyXCSNBFJLRDSMQK-MPKXVKKWSA-N
MW188.31 g/mol
LogP4.09
Rot. Bonds

About (1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene

(1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene (PubChem CID 102508391) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene.

Molecular Properties

Compound Name(1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene
PubChem CID102508391
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene
SMILESC=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2
InChIInChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1
InChIKeyXCSNBFJLRDSMQK-MPKXVKKWSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.09
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,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene?
The IUPAC name of (1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene (CID 102508391) is (1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene.
What is the SMILES notation for (1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene?
The canonical SMILES for (1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene is C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2.
What is the InChIKey of (1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene?
The InChIKey is XCSNBFJLRDSMQK-MPKXVKKWSA-N. The full InChI is InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1.
What are the key properties of (1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene?
(1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene has a molecular weight of 188.31 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R,10R)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.01,5]undec-4-ene is sourced from PubChem (CID 102508391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).