(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane

C11H18 — CID 101375325

IUPAC(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
SMILESC1CC[C@H]2[C@@H](C1)[C@@H]1CCC[C@H]21
InChIInChI=1S/C11H18/c1-2-5-9-8(4-1)10-6-3-7-11(9)10/h8-11H,1-7H2/t8-,9+,10+,11-
InChIKeyAVMDXXIEGYYSAM-CKIJPRSSSA-N
MW150.26 g/mol
LogP3.22
Rot. Bonds

About (1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane

(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane (PubChem CID 101375325) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane.

Molecular Properties

Compound Name(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
PubChem CID101375325
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
SMILESC1CC[C@H]2[C@@H](C1)[C@@H]1CCC[C@H]21
InChIInChI=1S/C11H18/c1-2-5-9-8(4-1)10-6-3-7-11(9)10/h8-11H,1-7H2/t8-,9+,10+,11-
InChIKeyAVMDXXIEGYYSAM-CKIJPRSSSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tricyclo[5.5.0.02,6]dodecane
CID 578151
pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
tricyclo[5.4.0.08,11]undecane
CID 176586412
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
tricyclo[5.2.1.02,6]decan-10-ol
CID 578081
tricyclo[5.2.1.02,6]decane-10-thiol
CID 89269654
cis-(1R,2S)-1-methyl-2-[(1R,2R)-2-[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane;cis-(1R,2S)-1-methyl-2-[(1S,2S)-2-[(1S,2R)-2-[(1R,2R)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane
CID 157247128
(7S,8S)-tetracyclo[5.4.0.02,6.08,11]undecane
CID 163896911
(2S,7R)-tricyclo[6.1.1.02,7]decane
CID 15939125
bicyclo[4.1.0]heptane-7-thiol
CID 91534790
(1R,5S)-bicyclo[3.2.0]heptane-6,7-diol
CID 22814734

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane?
The IUPAC name of (1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane (CID 101375325) is (1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane.
What is the SMILES notation for (1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane?
The canonical SMILES for (1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane is C1CC[C@H]2[C@@H](C1)[C@@H]1CCC[C@H]21.
What is the InChIKey of (1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane?
The InChIKey is AVMDXXIEGYYSAM-CKIJPRSSSA-N. The full InChI is InChI=1S/C11H18/c1-2-5-9-8(4-1)10-6-3-7-11(9)10/h8-11H,1-7H2/t8-,9+,10+,11-.
What are the key properties of (1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane?
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane has a molecular weight of 150.26 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane is sourced from PubChem (CID 101375325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).