(2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene

C15H18O — CID 155929166

IUPAC(2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
SMILESC=CCOC1C2C=CC1[C@@H]1C3C=CC(C3)[C@H]21
InChIInChI=1S/C15H18O/c1-2-7-16-15-11-5-6-12(15)14-10-4-3-9(8-10)13(11)14/h2-6,9-15H,1,7-8H2/t9?,10?,11?,12?,13-,14+,15?
InChIKeyCDNXENKQBWVUAE-LIAQAWTCSA-N
MW214.31 g/mol
LogP2.81
Rot. Bonds3

About (2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene

(2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene (PubChem CID 155929166) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene.

Molecular Properties

Compound Name(2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
PubChem CID155929166
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
SMILESC=CCOC1C2C=CC1[C@@H]1C3C=CC(C3)[C@H]21
InChIInChI=1S/C15H18O/c1-2-7-16-15-11-5-6-12(15)14-10-4-3-9(8-10)13(11)14/h2-6,9-15H,1,7-8H2/t9?,10?,11?,12?,13-,14+,15?
InChIKeyCDNXENKQBWVUAE-LIAQAWTCSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 102779
1b,2,5,5a,6,6a-Hexahydro-1ah-2,5-methanoindeno[1,2-b]oxirene
CID 262666
2H-Pyran, tetrahydro-2,4-dimethyl-6-(3-methylbicyclo(2.2.1)hept-5-en-2-yl)-, didehydro deriv.
CID 23454481
Allyloxytricyclo(5.2.1.0 2,6)dec-3-ene
CID 347423
9-Oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene
CID 85299421
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CID 134931522
(2R,7S)-tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-dien-11-ol
CID 155929165
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CID 155929365
(2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene
CID 155929543
(1S,4S,7R,11R)-9-oxapentacyclo[6.5.0.02,11.03,7.04,10]trideca-5,12-diene
CID 155929914
(2R,5S,6S)-3-but-3-enyl-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene
CID 155930560
(4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran
CID 162403596

Frequently Asked Questions

What is the IUPAC name of (2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene?
The IUPAC name of (2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene (CID 155929166) is (2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene.
What is the SMILES notation for (2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene?
The canonical SMILES for (2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene is C=CCOC1C2C=CC1[C@@H]1C3C=CC(C3)[C@H]21.
What is the InChIKey of (2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene?
The InChIKey is CDNXENKQBWVUAE-LIAQAWTCSA-N. The full InChI is InChI=1S/C15H18O/c1-2-7-16-15-11-5-6-12(15)14-10-4-3-9(8-10)13(11)14/h2-6,9-15H,1,7-8H2/t9?,10?,11?,12?,13-,14+,15?.
What are the key properties of (2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene?
(2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene has a molecular weight of 214.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S)-11-prop-2-enoxytetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene is sourced from PubChem (CID 155929166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).