(3R)-2,7-dimethyloct-7-en-3-ol

C10H20O — CID 124511716

IUPAC(3R)-2,7-dimethyloct-7-en-3-ol
SMILESC=C(C)CCC[C@@H](O)C(C)C
InChIInChI=1S/C10H20O/c1-8(2)6-5-7-10(11)9(3)4/h9-11H,1,5-7H2,2-4H3/t10-/m1/s1
InChIKeyDAFDIDSPMBWPSY-SNVBAGLBSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds5

About (3R)-2,7-dimethyloct-7-en-3-ol

(3R)-2,7-dimethyloct-7-en-3-ol (PubChem CID 124511716) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (3R)-2,7-dimethyloct-7-en-3-ol.

Molecular Properties

Compound Name(3R)-2,7-dimethyloct-7-en-3-ol
PubChem CID124511716
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(3R)-2,7-dimethyloct-7-en-3-ol
SMILESC=C(C)CCC[C@@H](O)C(C)C
InChIInChI=1S/C10H20O/c1-8(2)6-5-7-10(11)9(3)4/h9-11H,1,5-7H2,2-4H3/t10-/m1/s1
InChIKeyDAFDIDSPMBWPSY-SNVBAGLBSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethyloct-7-en-3-ol
CID 79185633
2,3,7-trimethyloct-7-en-4-ol
CID 115834419
7-bromo-2,6-dimethylhept-1-ene
CID 114477377
7-iodo-2,6-dimethylhept-1-ene
CID 138692615
(3S,5S)-5,9-dimethyldec-9-en-3-ol
CID 92860070
(2S)-2,6-dimethylhept-6-enoic acid
CID 57381237
6-bromo-2,7,7-trimethyloct-1-ene
CID 79185124
N,2,6-trimethylhept-6-en-1-amine
CID 114477309
3,7-dimethyl-2-methylideneoct-7-enal
CID 138692608
2,3,8-trimethylnona-1,8-diene
CID 155711646
2,7-dimethylnon-1-ene
CID 123682074
2,14-dimethylpentadeca-1,14-diene
CID 123962057

Frequently Asked Questions

What is the IUPAC name of (3R)-2,7-dimethyloct-7-en-3-ol?
The IUPAC name of (3R)-2,7-dimethyloct-7-en-3-ol (CID 124511716) is (3R)-2,7-dimethyloct-7-en-3-ol.
What is the SMILES notation for (3R)-2,7-dimethyloct-7-en-3-ol?
The canonical SMILES for (3R)-2,7-dimethyloct-7-en-3-ol is C=C(C)CCC[C@@H](O)C(C)C.
What is the InChIKey of (3R)-2,7-dimethyloct-7-en-3-ol?
The InChIKey is DAFDIDSPMBWPSY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)6-5-7-10(11)9(3)4/h9-11H,1,5-7H2,2-4H3/t10-/m1/s1.
What are the key properties of (3R)-2,7-dimethyloct-7-en-3-ol?
(3R)-2,7-dimethyloct-7-en-3-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,7-dimethyloct-7-en-3-ol is sourced from PubChem (CID 124511716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).