(6S)-1,7-dioxaspiro[5.5]undec-2-ene

C9H14O2 — CID 102517943

IUPAC(6S)-1,7-dioxaspiro[5.5]undec-2-ene
SMILESC1=CO[C@]2(CC1)CCCCO2
InChIInChI=1S/C9H14O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h3,7H,1-2,4-6,8H2/t9-/m0/s1
InChIKeyFZOYTBAOVIOBAN-VIFPVBQESA-N
MW154.21 g/mol
LogP2.21
Rot. Bonds

About (6S)-1,7-dioxaspiro[5.5]undec-2-ene

(6S)-1,7-dioxaspiro[5.5]undec-2-ene (PubChem CID 102517943) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (6S)-1,7-dioxaspiro[5.5]undec-2-ene.

Molecular Properties

Compound Name(6S)-1,7-dioxaspiro[5.5]undec-2-ene
PubChem CID102517943
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(6S)-1,7-dioxaspiro[5.5]undec-2-ene
SMILESC1=CO[C@]2(CC1)CCCCO2
InChIInChI=1S/C9H14O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h3,7H,1-2,4-6,8H2/t9-/m0/s1
InChIKeyFZOYTBAOVIOBAN-VIFPVBQESA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,7-Dioxaspiro[5.5]undec-2-ene
CID 566601
2-Allyl-1,7-dioxaspiro[5.5]undecane
CID 14214422
1,10-Dioxaspiro[4.5]dec-2-ene
CID 75066734
(2S,6S,8R)-2-but-3-enyl-8-butyl-1,7-dioxaspiro[5.5]undecane
CID 59456475
(E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol
CID 163618304
3-Butyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 10774829
2-Methoxy-2-prop-2-enyloxane
CID 10888145
1,7-Dioxaspiro[5.5]undec-2-en-4-ol
CID 14263737
(5S)-1,10-dioxaspiro[4.5]dec-2-ene
CID 44551304
3-Methyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 52920813
(6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 102517941

Frequently Asked Questions

What is the IUPAC name of (6S)-1,7-dioxaspiro[5.5]undec-2-ene?
The IUPAC name of (6S)-1,7-dioxaspiro[5.5]undec-2-ene (CID 102517943) is (6S)-1,7-dioxaspiro[5.5]undec-2-ene.
What is the SMILES notation for (6S)-1,7-dioxaspiro[5.5]undec-2-ene?
The canonical SMILES for (6S)-1,7-dioxaspiro[5.5]undec-2-ene is C1=CO[C@]2(CC1)CCCCO2.
What is the InChIKey of (6S)-1,7-dioxaspiro[5.5]undec-2-ene?
The InChIKey is FZOYTBAOVIOBAN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h3,7H,1-2,4-6,8H2/t9-/m0/s1.
What are the key properties of (6S)-1,7-dioxaspiro[5.5]undec-2-ene?
(6S)-1,7-dioxaspiro[5.5]undec-2-ene has a molecular weight of 154.21 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,7-dioxaspiro[5.5]undec-2-ene is sourced from PubChem (CID 102517943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).