(1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane

C10H14 — CID 163768070

IUPAC(1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane
SMILESC1CC2C3CC4C[C@@H]4[C@@]23C1
InChIInChI=1S/C10H14/c1-2-7-9-5-6-4-8(6)10(7,9)3-1/h6-9H,1-5H2/t6?,7?,8-,9?,10+/m0/s1
InChIKeyMEBFQBAVHGWABR-GEZSGWCBSA-N
MW134.22 g/mol
LogP2.44
Rot. Bonds

About (1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane

(1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane (PubChem CID 163768070) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane.

Molecular Properties

Compound Name(1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane
PubChem CID163768070
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane
SMILESC1CC2C3CC4C[C@@H]4[C@@]23C1
InChIInChI=1S/C10H14/c1-2-7-9-5-6-4-8(6)10(7,9)3-1/h6-9H,1-5H2/t6?,7?,8-,9?,10+/m0/s1
InChIKeyMEBFQBAVHGWABR-GEZSGWCBSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
CID 163491628
(5S,6S)-tricyclo[4.3.0.01,5]nonane
CID 144518883
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
1-cyclohexyl-10-azatricyclo[4.3.1.02,4]decane
CID 166701743
(2R,6S)-2-methyltricyclo[5.2.1.02,6]decane
CID 58931798
(5R)-tricyclo[3.2.0.01,6]heptane
CID 163731431
(1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid
CID 124709963
spiro[bicyclo[4.1.0]heptane-2,3'-piperidine]
CID 83873409
2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid
CID 167305094
spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one
CID 130992733
9,9-difluorobicyclo[6.1.0]nonane
CID 12610907

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane?
The IUPAC name of (1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane (CID 163768070) is (1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane.
What is the SMILES notation for (1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane?
The canonical SMILES for (1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane is C1CC2C3CC4C[C@@H]4[C@@]23C1.
What is the InChIKey of (1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane?
The InChIKey is MEBFQBAVHGWABR-GEZSGWCBSA-N. The full InChI is InChI=1S/C10H14/c1-2-7-9-5-6-4-8(6)10(7,9)3-1/h6-9H,1-5H2/t6?,7?,8-,9?,10+/m0/s1.
What are the key properties of (1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane?
(1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane has a molecular weight of 134.22 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-tetracyclo[4.4.0.01,7.02,4]decane is sourced from PubChem (CID 163768070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).