(1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene

C16H20O — CID 160995176

IUPAC(1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
SMILESC=C1CCC2=C1C1C=C(C)[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C16H20O/c1-10-5-6-12-9-13-4-3-7-16(13)11(2)8-14(17-16)15(10)12/h8,13-14H,1,3-7,9H2,2H3/t13-,14?,16-/m0/s1
InChIKeyRRMQXUYIAYSANQ-SFIRGFGWSA-N
MW228.33 g/mol
LogP3.92
Rot. Bonds

About (1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene

(1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene (PubChem CID 160995176) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is (1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene.

Molecular Properties

Compound Name(1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
PubChem CID160995176
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name(1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
SMILESC=C1CCC2=C1C1C=C(C)[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C16H20O/c1-10-5-6-12-9-13-4-3-7-16(13)11(2)8-14(17-16)15(10)12/h8,13-14H,1,3-7,9H2,2H3/t13-,14?,16-/m0/s1
InChIKeyRRMQXUYIAYSANQ-SFIRGFGWSA-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'}

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Related Compounds

CID 135009286
CID 135009286
15-Oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene
CID 135009287
(1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene
CID 135043135
(1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene
CID 135043220
(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
6,11-Epoxyguaia-4,9-diene
CID 91747443
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
4'-Ethyl-2,2,6-trimethyl-3'-propylspiro[1,5-dihydroazulene-3,2'-oxolane];octane
CID 143203342
(2R,4S)-2-butoxy-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-triene
CID 53310167

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
The IUPAC name of (1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene (CID 160995176) is (1R,5S)-14-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)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
The canonical SMILES for (1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene is C=C1CCC2=C1C1C=C(C)[C@]3(CCC[C@H]3C2)O1.
What is the InChIKey of (1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
The InChIKey is RRMQXUYIAYSANQ-SFIRGFGWSA-N. The full InChI is InChI=1S/C16H20O/c1-10-5-6-12-9-13-4-3-7-16(13)11(2)8-14(17-16)15(10)12/h8,13-14H,1,3-7,9H2,2H3/t13-,14?,16-/m0/s1.
What are the key properties of (1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene?
(1R,5S)-14-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)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene is sourced from PubChem (CID 160995176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).