(1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane

C10H14S — CID 100990146

IUPAC(1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane
SMILESC=C1[C@H]2C[C@@H]3C[C@H](C2)S[C@H]1C3
InChIInChI=1S/C10H14S/c1-6-8-2-7-3-9(5-8)11-10(6)4-7/h7-10H,1-5H2/t7-,8+,9-,10+/m1/s1
InChIKeyYBMSHDNMHSMINO-RGOKHQFPSA-N
MW166.29 g/mol
LogP2.85
Rot. Bonds

About (1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane

(1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane (PubChem CID 100990146) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is (1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name(1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane
PubChem CID100990146
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name(1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane
SMILESC=C1[C@H]2C[C@@H]3C[C@H](C2)S[C@H]1C3
InChIInChI=1S/C10H14S/c1-6-8-2-7-3-9(5-8)11-10(6)4-7/h7-10H,1-5H2/t7-,8+,9-,10+/m1/s1
InChIKeyYBMSHDNMHSMINO-RGOKHQFPSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,8-Dibutylidene-2-thiaadamantane
CID 6428490
4,8-Diethylidene-2-thiaadamantane
CID 6428492
4,8-Dipropylidene-2-thiaadamantane
CID 6428495
4-Ethylidene-2-thiaadamantane
CID 6428496
4,8-Dimethylene-2-thiaadamantane
CID 6428497
4-Methylene-2-thiaadamantane
CID 6428498
(4Z,8Z)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane
CID 20837750
(4Z,8Z)-4,8-di(propylidene)-2-thiatricyclo[3.3.1.13,7]decane
CID 20837751
(4Z)-4-ethylidene-2-thiatricyclo[3.3.1.13,7]decane
CID 20837752
(1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane
CID 100990147
(1R,3R,5R,7R)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane
CID 101797788
(1R,3R,5R,7R)-4,8-dimethylidene-2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide
CID 101797798

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane?
The IUPAC name of (1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane (CID 100990146) is (1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for (1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane?
The canonical SMILES for (1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane is C=C1[C@H]2C[C@@H]3C[C@H](C2)S[C@H]1C3.
What is the InChIKey of (1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane?
The InChIKey is YBMSHDNMHSMINO-RGOKHQFPSA-N. The full InChI is InChI=1S/C10H14S/c1-6-8-2-7-3-9(5-8)11-10(6)4-7/h7-10H,1-5H2/t7-,8+,9-,10+/m1/s1.
What are the key properties of (1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane?
(1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane has a molecular weight of 166.29 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 100990146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).