(6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene

C10H16O2 — CID 102517941

IUPAC(6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene
SMILESCC1=CO[C@@]2(CCCCO2)CC1
InChIInChI=1S/C10H16O2/c1-9-4-6-10(12-8-9)5-2-3-7-11-10/h8H,2-7H2,1H3/t10-/m0/s1
InChIKeyQATDWUZTJOBAAV-JTQLQIEISA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds

About (6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene

(6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene (PubChem CID 102517941) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene.

Molecular Properties

Compound Name(6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene
PubChem CID102517941
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene
SMILESCC1=CO[C@@]2(CCCCO2)CC1
InChIInChI=1S/C10H16O2/c1-9-4-6-10(12-8-9)5-2-3-7-11-10/h8H,2-7H2,1H3/t10-/m0/s1
InChIKeyQATDWUZTJOBAAV-JTQLQIEISA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,7-Dioxaspiro[5.5]undec-2-ene
CID 566601
5-Methylidene-1,7-dioxaspiro[5.5]undecane
CID 86048919
2-(Methoxymethylidene)-1,10-dioxaspiro[4.5]decane
CID 91410203
3,9-Dimethyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 16037458
5-hexyl-3,4-dihydro-2-methoxy-2-methyl-2H-pyran
CID 19091309
2-(7-Methyloct-7-enoxy)oxane
CID 85610562
4-[(6-Ethyl-4-methylideneoxan-2-yl)methyl]-2-methyl-1,3-dioxane
CID 89397613
(6S)-3,4,4,10,10-pentamethyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 89694967
(2R)-2-ethyl-2-methoxy-3-methylideneoxane
CID 141968322
(E)-1,7-dioxaspiro[5.5]undecan-2-ylidenemethanol
CID 163618304
3-Butyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 10774829
(6S)-4-methylidene-1,7-dioxaspiro[5.5]undecane
CID 15162520

Frequently Asked Questions

What is the IUPAC name of (6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene?
The IUPAC name of (6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene (CID 102517941) is (6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene.
What is the SMILES notation for (6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene?
The canonical SMILES for (6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene is CC1=CO[C@@]2(CCCCO2)CC1.
What is the InChIKey of (6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene?
The InChIKey is QATDWUZTJOBAAV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16O2/c1-9-4-6-10(12-8-9)5-2-3-7-11-10/h8H,2-7H2,1H3/t10-/m0/s1.
What are the key properties of (6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene?
(6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene has a molecular weight of 168.24 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-ene is sourced from PubChem (CID 102517941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).