1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane

C14H28O — CID 59045456

IUPAC1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane
SMILESCOC1(CCC[C@H](C)C(C)C)CCCC1
InChIInChI=1S/C14H28O/c1-12(2)13(3)8-7-11-14(15-4)9-5-6-10-14/h12-13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeySTLCIDUFBAOLNQ-ZDUSSCGKSA-N
MW212.38 g/mol
LogP4.41
Rot. Bonds6

About 1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane

1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane (PubChem CID 59045456) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane.

Molecular Properties

Compound Name1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane
PubChem CID59045456
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane
SMILESCOC1(CCC[C@H](C)C(C)C)CCCC1
InChIInChI=1S/C14H28O/c1-12(2)13(3)8-7-11-14(15-4)9-5-6-10-14/h12-13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeySTLCIDUFBAOLNQ-ZDUSSCGKSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane?
The IUPAC name of 1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane (CID 59045456) is 1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane.
What is the SMILES notation for 1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane?
The canonical SMILES for 1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane is COC1(CCC[C@H](C)C(C)C)CCCC1.
What is the InChIKey of 1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane?
The InChIKey is STLCIDUFBAOLNQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28O/c1-12(2)13(3)8-7-11-14(15-4)9-5-6-10-14/h12-13H,5-11H2,1-4H3/t13-/m0/s1.
What are the key properties of 1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane?
1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane has a molecular weight of 212.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane is sourced from PubChem (CID 59045456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).