(7S)-4-methyl-7-propan-2-yloxepan-2-one

C10H18O2 — CID 150283308

IUPAC(7S)-4-methyl-7-propan-2-yloxepan-2-one
SMILESCC1CC[C@@H](C(C)C)OC(=O)C1
InChIInChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8?,9-/m0/s1
InChIKeyGGAXPLCKKANQED-GKAPJAKFSA-N
MW170.25 g/mol
LogP2.37
Rot. Bonds1

About (7S)-4-methyl-7-propan-2-yloxepan-2-one

(7S)-4-methyl-7-propan-2-yloxepan-2-one (PubChem CID 150283308) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (7S)-4-methyl-7-propan-2-yloxepan-2-one.

Molecular Properties

Compound Name(7S)-4-methyl-7-propan-2-yloxepan-2-one
PubChem CID150283308
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(7S)-4-methyl-7-propan-2-yloxepan-2-one
SMILESCC1CC[C@@H](C(C)C)OC(=O)C1
InChIInChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8?,9-/m0/s1
InChIKeyGGAXPLCKKANQED-GKAPJAKFSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-4-methyl-7-propan-2-yloxepan-2-one?
The IUPAC name of (7S)-4-methyl-7-propan-2-yloxepan-2-one (CID 150283308) is (7S)-4-methyl-7-propan-2-yloxepan-2-one.
What is the SMILES notation for (7S)-4-methyl-7-propan-2-yloxepan-2-one?
The canonical SMILES for (7S)-4-methyl-7-propan-2-yloxepan-2-one is CC1CC[C@@H](C(C)C)OC(=O)C1.
What is the InChIKey of (7S)-4-methyl-7-propan-2-yloxepan-2-one?
The InChIKey is GGAXPLCKKANQED-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (7S)-4-methyl-7-propan-2-yloxepan-2-one?
(7S)-4-methyl-7-propan-2-yloxepan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-methyl-7-propan-2-yloxepan-2-one is sourced from PubChem (CID 150283308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).