(2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane

C14H24O2 — CID 10846789

IUPAC(2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane
SMILESC=C(C)[C@@]1(C)CC2(C[C@@H]1C)O[C@H](C)[C@@H](C)O2
InChIInChI=1S/C14H24O2/c1-9(2)13(6)8-14(7-10(13)3)15-11(4)12(5)16-14/h10-12H,1,7-8H2,2-6H3/t10-,11+,12+,13+/m0/s1
InChIKeyHAVUHCHTDMGHJE-UMSGYPCISA-N
MW224.34 g/mol
LogP3.52
Rot. Bonds1

About (2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane

(2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane (PubChem CID 10846789) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name(2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane
PubChem CID10846789
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane
SMILESC=C(C)[C@@]1(C)CC2(C[C@@H]1C)O[C@H](C)[C@@H](C)O2
InChIInChI=1S/C14H24O2/c1-9(2)13(6)8-14(7-10(13)3)15-11(4)12(5)16-14/h10-12H,1,7-8H2,2-6H3/t10-,11+,12+,13+/m0/s1
InChIKeyHAVUHCHTDMGHJE-UMSGYPCISA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine
CID 91195542
2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane
CID 20769602
trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride
CID 93494643
1,2-dimethyl-4-methylidene-1-prop-1-en-2-ylcyclopentane
CID 20644989
2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 130145096
2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
CID 20769609
(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol
CID 163961181
1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane
CID 91136006
(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol
CID 130147634
(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane
CID 59124579
1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane
CID 123266453
2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane
CID 123651222

Frequently Asked Questions

What is the IUPAC name of (2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of (2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane (CID 10846789) is (2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for (2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for (2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane is C=C(C)[C@@]1(C)CC2(C[C@@H]1C)O[C@H](C)[C@@H](C)O2.
What is the InChIKey of (2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is HAVUHCHTDMGHJE-UMSGYPCISA-N. The full InChI is InChI=1S/C14H24O2/c1-9(2)13(6)8-14(7-10(13)3)15-11(4)12(5)16-14/h10-12H,1,7-8H2,2-6H3/t10-,11+,12+,13+/m0/s1.
What are the key properties of (2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane?
(2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 224.34 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,7S,8S)-2,3,7,8-tetramethyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 10846789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).