(4R)-4-propan-2-ylocta-1,7-diene

C11H20 — CID 59911119

IUPAC(4R)-4-propan-2-ylocta-1,7-diene
SMILESC=CCC[C@H](CC=C)C(C)C
InChIInChI=1S/C11H20/c1-5-7-9-11(8-6-2)10(3)4/h5-6,10-11H,1-2,7-9H2,3-4H3/t11-/m0/s1
InChIKeySZMGLHXDCDRAFH-NSHDSACASA-N
MW152.28 g/mol
LogP3.80
Rot. Bonds6

About (4R)-4-propan-2-ylocta-1,7-diene

(4R)-4-propan-2-ylocta-1,7-diene (PubChem CID 59911119) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (4R)-4-propan-2-ylocta-1,7-diene.

Molecular Properties

Compound Name(4R)-4-propan-2-ylocta-1,7-diene
PubChem CID59911119
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(4R)-4-propan-2-ylocta-1,7-diene
SMILESC=CCC[C@H](CC=C)C(C)C
InChIInChI=1S/C11H20/c1-5-7-9-11(8-6-2)10(3)4/h5-6,10-11H,1-2,7-9H2,3-4H3/t11-/m0/s1
InChIKeySZMGLHXDCDRAFH-NSHDSACASA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.80
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-ylhepta-1,6-diene
CID 14140894
2-propan-2-ylhex-5-en-1-amine;hydrochloride
CID 126844479
N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride
CID 126844480
ethane;4-methylocta-1,7-diene
CID 144616064
methane;(4R)-4-propan-2-yloct-1-ene
CID 159803024
4-propan-2-ylnon-1-ene
CID 173177475
5-ethyl-6-methyloct-1-ene
CID 123326070
12-propan-2-yltricosa-1,22-diene
CID 102161324
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
5-prop-2-enylnona-1,8-diene
CID 54537373
(3S)-3-methylhepta-1,6-diene
CID 145257056
hex-5-ene-2-thiol
CID 12575095

Frequently Asked Questions

What is the IUPAC name of (4R)-4-propan-2-ylocta-1,7-diene?
The IUPAC name of (4R)-4-propan-2-ylocta-1,7-diene (CID 59911119) is (4R)-4-propan-2-ylocta-1,7-diene.
What is the SMILES notation for (4R)-4-propan-2-ylocta-1,7-diene?
The canonical SMILES for (4R)-4-propan-2-ylocta-1,7-diene is C=CCC[C@H](CC=C)C(C)C.
What is the InChIKey of (4R)-4-propan-2-ylocta-1,7-diene?
The InChIKey is SZMGLHXDCDRAFH-NSHDSACASA-N. The full InChI is InChI=1S/C11H20/c1-5-7-9-11(8-6-2)10(3)4/h5-6,10-11H,1-2,7-9H2,3-4H3/t11-/m0/s1.
What are the key properties of (4R)-4-propan-2-ylocta-1,7-diene?
(4R)-4-propan-2-ylocta-1,7-diene has a molecular weight of 152.28 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-propan-2-ylocta-1,7-diene is sourced from PubChem (CID 59911119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).