(5S,7R)-1-ethoxy-2-methylideneadamantane

C13H20O — CID 10035489

IUPAC(5S,7R)-1-ethoxy-2-methylideneadamantane
SMILESC=C1C2C[C@@H]3C[C@H](C2)CC1(OCC)C3
InChIInChI=1S/C13H20O/c1-3-14-13-7-10-4-11(8-13)6-12(5-10)9(13)2/h10-12H,2-8H2,1H3/t10-,11+,12?,13?
InChIKeyXANBZFHLOOYZIX-MPEURRAXSA-N
MW192.30 g/mol
LogP3.16
Rot. Bonds2

About (5S,7R)-1-ethoxy-2-methylideneadamantane

(5S,7R)-1-ethoxy-2-methylideneadamantane (PubChem CID 10035489) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (5S,7R)-1-ethoxy-2-methylideneadamantane.

Molecular Properties

Compound Name(5S,7R)-1-ethoxy-2-methylideneadamantane
PubChem CID10035489
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(5S,7R)-1-ethoxy-2-methylideneadamantane
SMILESC=C1C2C[C@@H]3C[C@H](C2)CC1(OCC)C3
InChIInChI=1S/C13H20O/c1-3-14-13-7-10-4-11(8-13)6-12(5-10)9(13)2/h10-12H,2-8H2,1H3/t10-,11+,12?,13?
InChIKeyXANBZFHLOOYZIX-MPEURRAXSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Matatabiether
CID 5319300
1-(Allyloxy)adamantane
CID 11769368
1-(2-Methylprop-2-enoxy)adamantane
CID 68812158
1-Pent-4-enoxyadamantane
CID 162401366
(5S,7R)-2-methylidene-1-(2,2,2-trifluoroethoxy)adamantane
CID 10467088
1-Methoxy-2-methylideneadamantane
CID 23504448
1-[2-(2-Methylprop-2-enoxy)propan-2-yl]adamantane
CID 66895559
1-Methoxy-4-methylideneadamantane
CID 68467277
1-[2-[1-(1-Adamantyl)-3-methylbut-3-en-2-yl]oxy-3-methylbut-3-enyl]adamantane
CID 68648907
1,3-Dimethyl-5-prop-2-enoxyadamantane
CID 68810446
1-But-3-en-2-yloxyadamantane
CID 70121331
1-(3-Methylbuta-1,3-dien-2-yloxy)adamantane
CID 89342969

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-1-ethoxy-2-methylideneadamantane?
The IUPAC name of (5S,7R)-1-ethoxy-2-methylideneadamantane (CID 10035489) is (5S,7R)-1-ethoxy-2-methylideneadamantane.
What is the SMILES notation for (5S,7R)-1-ethoxy-2-methylideneadamantane?
The canonical SMILES for (5S,7R)-1-ethoxy-2-methylideneadamantane is C=C1C2C[C@@H]3C[C@H](C2)CC1(OCC)C3.
What is the InChIKey of (5S,7R)-1-ethoxy-2-methylideneadamantane?
The InChIKey is XANBZFHLOOYZIX-MPEURRAXSA-N. The full InChI is InChI=1S/C13H20O/c1-3-14-13-7-10-4-11(8-13)6-12(5-10)9(13)2/h10-12H,2-8H2,1H3/t10-,11+,12?,13?.
What are the key properties of (5S,7R)-1-ethoxy-2-methylideneadamantane?
(5S,7R)-1-ethoxy-2-methylideneadamantane has a molecular weight of 192.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-1-ethoxy-2-methylideneadamantane is sourced from PubChem (CID 10035489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).