methane;(4R)-4-propan-2-yloct-1-ene

C12H26 — CID 159803024

IUPACmethane;(4R)-4-propan-2-yloct-1-ene
SMILESC.C=CC[C@@H](CCCC)C(C)C
InChIInChI=1S/C11H22.CH4/c1-5-7-9-11(8-6-2)10(3)4;/h6,10-11H,2,5,7-9H2,1,3-4H3;1H4/t11-;/m0./s1
InChIKeyNKAPPMXJIOBEIC-MERQFXBCSA-N
MW170.34 g/mol
LogP4.66
Rot. Bonds6

About methane;(4R)-4-propan-2-yloct-1-ene

methane;(4R)-4-propan-2-yloct-1-ene (PubChem CID 159803024) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is methane;(4R)-4-propan-2-yloct-1-ene.

Molecular Properties

Compound Namemethane;(4R)-4-propan-2-yloct-1-ene
PubChem CID159803024
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Namemethane;(4R)-4-propan-2-yloct-1-ene
SMILESC.C=CC[C@@H](CCCC)C(C)C
InChIInChI=1S/C11H22.CH4/c1-5-7-9-11(8-6-2)10(3)4;/h6,10-11H,2,5,7-9H2,1,3-4H3;1H4/t11-;/m0./s1
InChIKeyNKAPPMXJIOBEIC-MERQFXBCSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-ylnon-1-ene
CID 173177475
5-prop-2-enyl-4-propyldec-1-ene
CID 173236567
4-propan-2-ylhepta-1,6-diene
CID 14140894
5-ethyl-4-methylnon-1-ene
CID 22027489
3-prop-2-enyloctan-2-ol
CID 174661731
4-butan-2-ylheptadec-1-ene
CID 19792906
(4R)-4-propan-2-ylocta-1,7-diene
CID 59911119
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
13-nonyl-14-prop-2-enylhexacosanedioic acid
CID 123780538
(4S)-4-ethyloct-1-ene
CID 129373406
5,6-dipropyldec-1-ene
CID 123363407
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104

Frequently Asked Questions

What is the IUPAC name of methane;(4R)-4-propan-2-yloct-1-ene?
The IUPAC name of methane;(4R)-4-propan-2-yloct-1-ene (CID 159803024) is methane;(4R)-4-propan-2-yloct-1-ene.
What is the SMILES notation for methane;(4R)-4-propan-2-yloct-1-ene?
The canonical SMILES for methane;(4R)-4-propan-2-yloct-1-ene is C.C=CC[C@@H](CCCC)C(C)C.
What is the InChIKey of methane;(4R)-4-propan-2-yloct-1-ene?
The InChIKey is NKAPPMXJIOBEIC-MERQFXBCSA-N. The full InChI is InChI=1S/C11H22.CH4/c1-5-7-9-11(8-6-2)10(3)4;/h6,10-11H,2,5,7-9H2,1,3-4H3;1H4/t11-;/m0./s1.
What are the key properties of methane;(4R)-4-propan-2-yloct-1-ene?
methane;(4R)-4-propan-2-yloct-1-ene has a molecular weight of 170.34 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(4R)-4-propan-2-yloct-1-ene is sourced from PubChem (CID 159803024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).