(10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane]

C25H34O — CID 160962926

IUPAC(10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane]
SMILESC=C1C=C2C3CC3C3C(CC[C@@]4(CC)C3C3C[C@@H]3[C@@]43CCCO3)[C@H]2CC1
InChIInChI=1S/C25H34O/c1-3-24-9-7-16-15-6-5-14(2)11-17(15)18-12-19(18)22(16)23(24)20-13-21(20)25(24)8-4-10-26-25/h11,15-16,18-23H,2-10,12-13H2,1H3/t15-,16?,18?,19?,20?,21+,22?,23?,24+,25+/m1/s1
InChIKeyGQRBSRSEBCDBJL-YYBROQQQSA-N
MW350.55 g/mol
LogP5.77
Rot. Bonds1

About (10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane]

(10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane] (PubChem CID 160962926) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is (10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane].

Molecular Properties

Compound Name(10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane]
PubChem CID160962926
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Name(10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane]
SMILESC=C1C=C2C3CC3C3C(CC[C@@]4(CC)C3C3C[C@@H]3[C@@]43CCCO3)[C@H]2CC1
InChIInChI=1S/C25H34O/c1-3-24-9-7-16-15-6-5-14(2)11-17(15)18-12-19(18)22(16)23(24)20-13-21(20)25(24)8-4-10-26-25/h11,15-16,18-23H,2-10,12-13H2,1H3/t15-,16?,18?,19?,20?,21+,22?,23?,24+,25+/m1/s1
InChIKeyGQRBSRSEBCDBJL-YYBROQQQSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane]?
The IUPAC name of (10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane] (CID 160962926) is (10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane].
What is the SMILES notation for (10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane]?
The canonical SMILES for (10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane] is C=C1C=C2C3CC3C3C(CC[C@@]4(CC)C3C3C[C@@H]3[C@@]43CCCO3)[C@H]2CC1.
What is the InChIKey of (10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane]?
The InChIKey is GQRBSRSEBCDBJL-YYBROQQQSA-N. The full InChI is InChI=1S/C25H34O/c1-3-24-9-7-16-15-6-5-14(2)11-17(15)18-12-19(18)22(16)23(24)20-13-21(20)25(24)8-4-10-26-25/h11,15-16,18-23H,2-10,12-13H2,1H3/t15-,16?,18?,19?,20?,21+,22?,23?,24+,25+/m1/s1.
What are the key properties of (10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane]?
(10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane] has a molecular weight of 350.55 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,14S,15S,16S)-14-ethyl-7-methylidenespiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane] is sourced from PubChem (CID 160962926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).