(1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene

C15H24O — CID 162969157

IUPAC(1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene
SMILESCC1=C[C@H]2[C@H](C(C)C)[C@@H]3C[C@H](C)[C@@]2(CC1)O3
InChIInChI=1S/C15H24O/c1-9(2)14-12-7-10(3)5-6-15(12)11(4)8-13(14)16-15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12-,13-,14-,15+/m0/s1
InChIKeyDQYKEJCVAMRGAR-YYFQZIEXSA-N
MW220.36 g/mol
LogP3.79
Rot. Bonds1

About (1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene

(1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene (PubChem CID 162969157) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene.

Molecular Properties

Compound Name(1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene
PubChem CID162969157
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene
SMILESCC1=C[C@H]2[C@H](C(C)C)[C@@H]3C[C@H](C)[C@@]2(CC1)O3
InChIInChI=1S/C15H24O/c1-9(2)14-12-7-10(3)5-6-15(12)11(4)8-13(14)16-15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12-,13-,14-,15+/m0/s1
InChIKeyDQYKEJCVAMRGAR-YYFQZIEXSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene?
The IUPAC name of (1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene (CID 162969157) is (1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene.
What is the SMILES notation for (1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene?
The canonical SMILES for (1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene is CC1=C[C@H]2[C@H](C(C)C)[C@@H]3C[C@H](C)[C@@]2(CC1)O3.
What is the InChIKey of (1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene?
The InChIKey is DQYKEJCVAMRGAR-YYFQZIEXSA-N. The full InChI is InChI=1S/C15H24O/c1-9(2)14-12-7-10(3)5-6-15(12)11(4)8-13(14)16-15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12-,13-,14-,15+/m0/s1.
What are the key properties of (1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene?
(1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene has a molecular weight of 220.36 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7S,8S,10S)-4,10-dimethyl-7-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undec-4-ene is sourced from PubChem (CID 162969157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).