(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene

C17H22O — CID 161213679

IUPAC(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
SMILESC=C1CC(C)(C)C2=C1C1C=C[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C17H22O/c1-11-10-16(2,3)13-9-12-5-4-7-17(12)8-6-14(18-17)15(11)13/h6,8,12,14H,1,4-5,7,9-10H2,2-3H3/t12-,14?,17-/m0/s1
InChIKeyBOIZWCDZZCYHAX-XTIDWKMFSA-N
MW242.36 g/mol
LogP4.17
Rot. Bonds

About (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene

(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene (PubChem CID 161213679) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene.

Molecular Properties

Compound Name(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
PubChem CID161213679
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
SMILESC=C1CC(C)(C)C2=C1C1C=C[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C17H22O/c1-11-10-16(2,3)13-9-12-5-4-7-17(12)8-6-14(18-17)15(11)13/h6,8,12,14H,1,4-5,7,9-10H2,2-3H3/t12-,14?,17-/m0/s1
InChIKeyBOIZWCDZZCYHAX-XTIDWKMFSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,5S)-8,8-dimethyl-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
(1S,3R,4S,7S,12R)-3,10-bis(ethenyl)-8-oxatricyclo[5.4.1.04,12]dodeca-5,10-diene
CID 155929907
(1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene
CID 155930659
(1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene
CID 10375272
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
trimethyl-[[(1R,5S,7R,12R)-7-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-dien-10-yl]oxy]silane
CID 141653186
4'-Ethyl-2,2,6-trimethyl-3'-propylspiro[1,5-dihydroazulene-3,2'-oxolane];octane
CID 143203342
4-Methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undeca-2,7,9-triene
CID 156500300
(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene;(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 161213677
(1R,5R,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene
CID 10330170

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
The IUPAC name of (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene (CID 161213679) is (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene.
What is the SMILES notation for (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
The canonical SMILES for (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene is C=C1CC(C)(C)C2=C1C1C=C[C@]3(CCC[C@H]3C2)O1.
What is the InChIKey of (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
The InChIKey is BOIZWCDZZCYHAX-XTIDWKMFSA-N. The full InChI is InChI=1S/C17H22O/c1-11-10-16(2,3)13-9-12-5-4-7-17(12)8-6-14(18-17)15(11)13/h6,8,12,14H,1,4-5,7,9-10H2,2-3H3/t12-,14?,17-/m0/s1.
What are the key properties of (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
(1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene has a molecular weight of 242.36 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8,8-dimethyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene is sourced from PubChem (CID 161213679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).