(1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

C10H16 — CID 23616290

IUPAC(1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CC[C@@H](C2)C1(C)C
InChIInChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8?,9-/m0/s1
InChIKeyCRPUJAZIXJMDBK-GKAPJAKFSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds

About (1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

(1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane (PubChem CID 23616290) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
PubChem CID23616290
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CC[C@@H](C2)C1(C)C
InChIInChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8?,9-/m0/s1
InChIKeyCRPUJAZIXJMDBK-GKAPJAKFSA-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 (1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of (1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane (CID 23616290) is (1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for (1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for (1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane is C=C1C2CC[C@@H](C2)C1(C)C.
What is the InChIKey of (1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The InChIKey is CRPUJAZIXJMDBK-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8?,9-/m0/s1.
What are the key properties of (1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
(1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]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 (1S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 23616290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).