(5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane

C10H16 — CID 173165956

IUPAC(5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane
SMILESC=C1CC2C[C@@H](C1)C2(C)C
InChIInChI=1S/C10H16/c1-7-4-8-6-9(5-7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9?/m1/s1
InChIKeyAKTVSHXUPUGPRY-VEDVMXKPSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds

About (5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane

(5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane (PubChem CID 173165956) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane
PubChem CID173165956
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane
SMILESC=C1CC2C[C@@H](C1)C2(C)C
InChIInChI=1S/C10H16/c1-7-4-8-6-9(5-7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9?/m1/s1
InChIKeyAKTVSHXUPUGPRY-VEDVMXKPSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
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 (5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane?
The IUPAC name of (5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane (CID 173165956) is (5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane.
What is the SMILES notation for (5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane?
The canonical SMILES for (5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane is C=C1CC2C[C@@H](C1)C2(C)C.
What is the InChIKey of (5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane?
The InChIKey is AKTVSHXUPUGPRY-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H16/c1-7-4-8-6-9(5-7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9?/m1/s1.
What are the key properties of (5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane?
(5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane has a molecular weight of 136.24 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane is sourced from PubChem (CID 173165956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).