(1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol

C20H32O2 — CID 163023417

IUPAC(1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol
SMILESC/C1=C/C[C@@H](C(C)C)/C=C/[C@](C)(O)C/C=C/[C@@]2(C)CC[C@@H]1O2
InChIInChI=1S/C20H32O2/c1-15(2)17-8-7-16(3)18-10-14-20(5,22-18)12-6-11-19(4,21)13-9-17/h6-7,9,12-13,15,17-18,21H,8,10-11,14H2,1-5H3/b12-6+,13-9+,16-7-/t17-,18+,19-,20+/m1/s1
InChIKeyLXTMIBQQMKEULI-YHCQIEPFSA-N
MW304.47 g/mol
LogP4.80
Rot. Bonds1

About (1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol

(1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol (PubChem CID 163023417) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol.

Molecular Properties

Compound Name(1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol
PubChem CID163023417
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol
SMILESC/C1=C/C[C@@H](C(C)C)/C=C/[C@](C)(O)C/C=C/[C@@]2(C)CC[C@@H]1O2
InChIInChI=1S/C20H32O2/c1-15(2)17-8-7-16(3)18-10-14-20(5,22-18)12-6-11-19(4,21)13-9-17/h6-7,9,12-13,15,17-18,21H,8,10-11,14H2,1-5H3/b12-6+,13-9+,16-7-/t17-,18+,19-,20+/m1/s1
InChIKeyLXTMIBQQMKEULI-YHCQIEPFSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol with MolForge

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Related Compounds

(1S,2R,5E,9E,12S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9,13-trien-2-ol
CID 100921067
(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol
CID 131751871
(1R,2S,5E,9E,12S)-2,6,10-trimethyl-13-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9,13-trien-2-ol
CID 14138034
4,8,12-Trimethyl-1-(propan-2-yl)-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol
CID 53440072
(2Z,7Z,11Z)-4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol
CID 90476053
(1R,2E,6S,7Z,9R,12E)-9-methoxy-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,12-trien-1-ol
CID 102068276
(1S,2E,4S,7E,11E,14R)-4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,7,11-trien-4-ol
CID 162865825
(1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol
CID 162873810
(1R,2E,5R,6E,8S,12S)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol
CID 162873811
(1S,2Z,5R,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol
CID 162873813
(1R,2E,4S,6R,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-triene-1,6-diol
CID 162897639
(E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol
CID 162905306

Frequently Asked Questions

What is the IUPAC name of (1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol?
The IUPAC name of (1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol (CID 163023417) is (1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol.
What is the SMILES notation for (1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol?
The canonical SMILES for (1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol is C/C1=C/C[C@@H](C(C)C)/C=C/[C@](C)(O)C/C=C/[C@@]2(C)CC[C@@H]1O2.
What is the InChIKey of (1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol?
The InChIKey is LXTMIBQQMKEULI-YHCQIEPFSA-N. The full InChI is InChI=1S/C20H32O2/c1-15(2)17-8-7-16(3)18-10-14-20(5,22-18)12-6-11-19(4,21)13-9-17/h6-7,9,12-13,15,17-18,21H,8,10-11,14H2,1-5H3/b12-6+,13-9+,16-7-/t17-,18+,19-,20+/m1/s1.
What are the key properties of (1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol?
(1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol has a molecular weight of 304.47 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol is sourced from PubChem (CID 163023417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).