(4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane

C12H24O — CID 59661877

IUPAC(4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane
SMILESCC(C)C1O[C@@H](C)C[C@H](C)C1(C)C
InChIInChI=1S/C12H24O/c1-8(2)11-12(5,6)9(3)7-10(4)13-11/h8-11H,7H2,1-6H3/t9-,10-,11?/m0/s1
InChIKeyFTHRDPJGZFLMNE-QRHSGQBVSA-N
MW184.32 g/mol
LogP3.48
Rot. Bonds1

About (4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane

(4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane (PubChem CID 59661877) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane.

Molecular Properties

Compound Name(4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane
PubChem CID59661877
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane
SMILESCC(C)C1O[C@@H](C)C[C@H](C)C1(C)C
InChIInChI=1S/C12H24O/c1-8(2)11-12(5,6)9(3)7-10(4)13-11/h8-11H,7H2,1-6H3/t9-,10-,11?/m0/s1
InChIKeyFTHRDPJGZFLMNE-QRHSGQBVSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane?
The IUPAC name of (4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane (CID 59661877) is (4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane.
What is the SMILES notation for (4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane?
The canonical SMILES for (4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane is CC(C)C1O[C@@H](C)C[C@H](C)C1(C)C.
What is the InChIKey of (4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane?
The InChIKey is FTHRDPJGZFLMNE-QRHSGQBVSA-N. The full InChI is InChI=1S/C12H24O/c1-8(2)11-12(5,6)9(3)7-10(4)13-11/h8-11H,7H2,1-6H3/t9-,10-,11?/m0/s1.
What are the key properties of (4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane?
(4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane has a molecular weight of 184.32 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane is sourced from PubChem (CID 59661877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).