(1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol

C15H24O2 — CID 70963910

IUPAC(1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol
SMILESC/C=C\C12CC3[C@H](C)C(OC3(C)C1)C2C(C)O
InChIInChI=1S/C15H24O2/c1-5-6-15-7-11-9(2)13(12(15)10(3)16)17-14(11,4)8-15/h5-6,9-13,16H,7-8H2,1-4H3/b6-5-/t9-,10?,11?,12?,13?,14?,15?/m0/s1
InChIKeyHMAAYAVXGBEALG-DMGZRFTCSA-N
MW236.35 g/mol
LogP2.76
Rot. Bonds2

About (1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol

(1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol (PubChem CID 70963910) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol
PubChem CID70963910
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol
SMILESC/C=C\C12CC3[C@H](C)C(OC3(C)C1)C2C(C)O
InChIInChI=1S/C15H24O2/c1-5-6-15-7-11-9(2)13(12(15)10(3)16)17-14(11,4)8-15/h5-6,9-13,16H,7-8H2,1-4H3/b6-5-/t9-,10?,11?,12?,13?,14?,15?/m0/s1
InChIKeyHMAAYAVXGBEALG-DMGZRFTCSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol?
The IUPAC name of (1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol (CID 70963910) is (1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol.
What is the SMILES notation for (1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol?
The canonical SMILES for (1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol is C/C=C\C12CC3[C@H](C)C(OC3(C)C1)C2C(C)O.
What is the InChIKey of (1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol?
The InChIKey is HMAAYAVXGBEALG-DMGZRFTCSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-6-15-7-11-9(2)13(12(15)10(3)16)17-14(11,4)8-15/h5-6,9-13,16H,7-8H2,1-4H3/b6-5-/t9-,10?,11?,12?,13?,14?,15?/m0/s1.
What are the key properties of (1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol?
(1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol has a molecular weight of 236.35 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol is sourced from PubChem (CID 70963910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).