(1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol

C15H26O2 — CID 91746548

IUPAC(1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol
SMILESC/C1=C/CC[C@]2(C)O[C@@H]2[C@H](O)[C@H](C(C)C)CC1
InChIInChI=1S/C15H26O2/c1-10(2)12-8-7-11(3)6-5-9-15(4)14(17-15)13(12)16/h6,10,12-14,16H,5,7-9H2,1-4H3/b11-6-/t12-,13+,14+,15-/m0/s1
InChIKeyKLQPHHIQARFSDE-XAIQYQJBSA-N
MW238.37 g/mol
LogP3.30
Rot. Bonds1

About (1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol

(1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol (PubChem CID 91746548) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol.

Molecular Properties

Compound Name(1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol
PubChem CID91746548
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol
SMILESC/C1=C/CC[C@]2(C)O[C@@H]2[C@H](O)[C@H](C(C)C)CC1
InChIInChI=1S/C15H26O2/c1-10(2)12-8-7-11(3)6-5-9-15(4)14(17-15)13(12)16/h6,10,12-14,16H,5,7-9H2,1-4H3/b11-6-/t12-,13+,14+,15-/m0/s1
InChIKeyKLQPHHIQARFSDE-XAIQYQJBSA-N
XLogP3.30
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol?
The IUPAC name of (1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol (CID 91746548) is (1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol.
What is the SMILES notation for (1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol?
The canonical SMILES for (1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol is C/C1=C/CC[C@]2(C)O[C@@H]2[C@H](O)[C@H](C(C)C)CC1.
What is the InChIKey of (1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol?
The InChIKey is KLQPHHIQARFSDE-XAIQYQJBSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)12-8-7-11(3)6-5-9-15(4)14(17-15)13(12)16/h6,10,12-14,16H,5,7-9H2,1-4H3/b11-6-/t12-,13+,14+,15-/m0/s1.
What are the key properties of (1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol?
(1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol has a molecular weight of 238.37 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,6Z,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol is sourced from PubChem (CID 91746548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).