(1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene

C16H24 — CID 131752013

IUPAC(1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene
SMILESC=C1C[C@@]23C(=C1C)C[C@@H](CC[C@H]2C)C3(C)C
InChIInChI=1S/C16H24/c1-10-9-16-11(2)6-7-13(15(16,4)5)8-14(16)12(10)3/h11,13H,1,6-9H2,2-5H3/t11-,13-,16+/m1/s1
InChIKeyCASPQMNSCBDWDR-KFNAQCHYSA-N
MW216.37 g/mol
LogP4.73
Rot. Bonds

About (1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene

(1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene (PubChem CID 131752013) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is (1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene.

Molecular Properties

Compound Name(1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene
PubChem CID131752013
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name(1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene
SMILESC=C1C[C@@]23C(=C1C)C[C@@H](CC[C@H]2C)C3(C)C
InChIInChI=1S/C16H24/c1-10-9-16-11(2)6-7-13(15(16,4)5)8-14(16)12(10)3/h11,13H,1,6-9H2,2-5H3/t11-,13-,16+/m1/s1
InChIKeyCASPQMNSCBDWDR-KFNAQCHYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene?
The IUPAC name of (1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene (CID 131752013) is (1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene.
What is the SMILES notation for (1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene?
The canonical SMILES for (1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene is C=C1C[C@@]23C(=C1C)C[C@@H](CC[C@H]2C)C3(C)C.
What is the InChIKey of (1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene?
The InChIKey is CASPQMNSCBDWDR-KFNAQCHYSA-N. The full InChI is InChI=1S/C16H24/c1-10-9-16-11(2)6-7-13(15(16,4)5)8-14(16)12(10)3/h11,13H,1,6-9H2,2-5H3/t11-,13-,16+/m1/s1.
What are the key properties of (1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene?
(1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene has a molecular weight of 216.37 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene is sourced from PubChem (CID 131752013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).