(2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol

C10H20O2 — CID 10855967

IUPAC(2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol
SMILESCC(C)[C@H]1O[C@@H](C)CCC[C@@H]1O
InChIInChI=1S/C10H20O2/c1-7(2)10-9(11)6-4-5-8(3)12-10/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyFISORPISKNJLJY-LPEHRKFASA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds1

About (2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol

(2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol (PubChem CID 10855967) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol.

Molecular Properties

Compound Name(2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol
PubChem CID10855967
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol
SMILESCC(C)[C@H]1O[C@@H](C)CCC[C@@H]1O
InChIInChI=1S/C10H20O2/c1-7(2)10-9(11)6-4-5-8(3)12-10/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyFISORPISKNJLJY-LPEHRKFASA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol?
The IUPAC name of (2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol (CID 10855967) is (2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol.
What is the SMILES notation for (2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol?
The canonical SMILES for (2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol is CC(C)[C@H]1O[C@@H](C)CCC[C@@H]1O.
What is the InChIKey of (2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol?
The InChIKey is FISORPISKNJLJY-LPEHRKFASA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)10-9(11)6-4-5-8(3)12-10/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1.
What are the key properties of (2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol?
(2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,7S)-7-methyl-2-propan-2-yloxepan-3-ol is sourced from PubChem (CID 10855967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).