(1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene

C16H20O — CID 160995175

IUPAC(1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
SMILESC=C1CCC2=C1C1(C)C=C[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C16H20O/c1-11-5-6-12-10-13-4-3-7-16(13)9-8-15(2,17-16)14(11)12/h8-9,13H,1,3-7,10H2,2H3/t13-,15?,16-/m0/s1
InChIKeyHYZGFBPHPCSMEP-VFDRBLODSA-N
MW228.33 g/mol
LogP3.92
Rot. Bonds

About (1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene

(1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene (PubChem CID 160995175) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is (1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene.

Molecular Properties

Compound Name(1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
PubChem CID160995175
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name(1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
SMILESC=C1CCC2=C1C1(C)C=C[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C16H20O/c1-11-5-6-12-10-13-4-3-7-16(13)9-8-15(2,17-16)14(11)12/h8-9,13H,1,3-7,10H2,2H3/t13-,15?,16-/m0/s1
InChIKeyHYZGFBPHPCSMEP-VFDRBLODSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene
CID 135043135
8-Methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
CID 138514514
(1R,5S,7R,12R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
CID 140937731
(1R,5S,7R)-7-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
CID 140937744
(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 160995173
(1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 160995176
trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane
CID 160995178
(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 161213678
(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 161213679

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
The IUPAC name of (1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene (CID 160995175) is (1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene.
What is the SMILES notation for (1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
The canonical SMILES for (1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene is C=C1CCC2=C1C1(C)C=C[C@]3(CCC[C@H]3C2)O1.
What is the InChIKey of (1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
The InChIKey is HYZGFBPHPCSMEP-VFDRBLODSA-N. The full InChI is InChI=1S/C16H20O/c1-11-5-6-12-10-13-4-3-7-16(13)9-8-15(2,17-16)14(11)12/h8-9,13H,1,3-7,10H2,2H3/t13-,15?,16-/m0/s1.
What are the key properties of (1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
(1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene has a molecular weight of 228.33 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-12-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene is sourced from PubChem (CID 160995175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).