(1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol

C18H24O2 — CID 171319962

IUPAC(1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol
SMILESCc1cc2c(cc1O)[C@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3
InChIInChI=1S/C18H24O2/c1-11-7-12-13(8-14(11)19)18-6-4-5-17(2,3)16(18)9-15(12)20-10-18/h7-8,15-16,19H,4-6,9-10H2,1-3H3/t15-,16-,18+/m0/s1
InChIKeyRHXIVZRYHFCBDN-XYJFISCASA-N
MW272.39 g/mol
LogP4.24
Rot. Bonds

About (1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol

(1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol (PubChem CID 171319962) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol
PubChem CID171319962
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name(1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol
SMILESCc1cc2c(cc1O)[C@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3
InChIInChI=1S/C18H24O2/c1-11-7-12-13(8-14(11)19)18-6-4-5-17(2,3)16(18)9-15(12)20-10-18/h7-8,15-16,19H,4-6,9-10H2,1-3H3/t15-,16-,18+/m0/s1
InChIKeyRHXIVZRYHFCBDN-XYJFISCASA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol?
The IUPAC name of (1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol (CID 171319962) is (1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol?
The canonical SMILES for (1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol is Cc1cc2c(cc1O)[C@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3.
What is the InChIKey of (1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol?
The InChIKey is RHXIVZRYHFCBDN-XYJFISCASA-N. The full InChI is InChI=1S/C18H24O2/c1-11-7-12-13(8-14(11)19)18-6-4-5-17(2,3)16(18)9-15(12)20-10-18/h7-8,15-16,19H,4-6,9-10H2,1-3H3/t15-,16-,18+/m0/s1.
What are the key properties of (1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol?
(1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol has a molecular weight of 272.39 g/mol, XLogP of 4.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 171319962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).