(3R,5S)-1-methyl-4-methylideneadamantane

C12H18 — CID 10034924

IUPAC(3R,5S)-1-methyl-4-methylideneadamantane
SMILESC=C1[C@@H]2CC3C[C@H]1CC(C)(C3)C2
InChIInChI=1S/C12H18/c1-8-10-3-9-4-11(8)7-12(2,5-9)6-10/h9-11H,1,3-7H2,2H3/t9?,10-,11+,12?
InChIKeyHREPUWCTJGCDDS-WSVSKBAQSA-N
MW162.28 g/mol
LogP3.39
Rot. Bonds

About (3R,5S)-1-methyl-4-methylideneadamantane

(3R,5S)-1-methyl-4-methylideneadamantane (PubChem CID 10034924) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (3R,5S)-1-methyl-4-methylideneadamantane.

Molecular Properties

Compound Name(3R,5S)-1-methyl-4-methylideneadamantane
PubChem CID10034924
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(3R,5S)-1-methyl-4-methylideneadamantane
SMILESC=C1[C@@H]2CC3C[C@H]1CC(C)(C3)C2
InChIInChI=1S/C12H18/c1-8-10-3-9-4-11(8)7-12(2,5-9)6-10/h9-11H,1,3-7H2,2H3/t9?,10-,11+,12?
InChIKeyHREPUWCTJGCDDS-WSVSKBAQSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-methylideneadamantan-1-amine
CID 58192813
1-fluoro-4-methylideneadamantane
CID 15306993
adamantane;1-methyladamantane
CID 53425859
1,4,4-trimethyladamantane
CID 123338227
(2E,5R,7S)-1-methyl-2-[(5R,7S)-1-methyl-2-adamantylidene]adamantane
CID 101019759
5-methyl-1-azatricyclo[3.3.1.13,7]decan-2-one
CID 86046597
1,3-dimethyladamantane;1-methyladamantane;1,3,5,7-tetramethyladamantane;1,3,5-trimethyladamantane
CID 158375543
1-methyladamantan-2-ol
CID 12697517
1-bromo-2-methylideneadamantane
CID 15642463
4-hydroxy-5-methyladamantan-2-one
CID 14418188
(2,5-dimethyl-2-adamantyl) prop-2-enoate
CID 58844013
9-methyl-4-oxatricyclo[4.4.1.13,9]dodecan-5-one
CID 59832837

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-methyl-4-methylideneadamantane?
The IUPAC name of (3R,5S)-1-methyl-4-methylideneadamantane (CID 10034924) is (3R,5S)-1-methyl-4-methylideneadamantane.
What is the SMILES notation for (3R,5S)-1-methyl-4-methylideneadamantane?
The canonical SMILES for (3R,5S)-1-methyl-4-methylideneadamantane is C=C1[C@@H]2CC3C[C@H]1CC(C)(C3)C2.
What is the InChIKey of (3R,5S)-1-methyl-4-methylideneadamantane?
The InChIKey is HREPUWCTJGCDDS-WSVSKBAQSA-N. The full InChI is InChI=1S/C12H18/c1-8-10-3-9-4-11(8)7-12(2,5-9)6-10/h9-11H,1,3-7H2,2H3/t9?,10-,11+,12?.
What are the key properties of (3R,5S)-1-methyl-4-methylideneadamantane?
(3R,5S)-1-methyl-4-methylideneadamantane has a molecular weight of 162.28 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-methyl-4-methylideneadamantane is sourced from PubChem (CID 10034924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).