(2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol

C11H22O — CID 14606279

IUPAC(2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol
SMILESC=C[C@H](C)CC[C@H](CO)C(C)C
InChIInChI=1S/C11H22O/c1-5-10(4)6-7-11(8-12)9(2)3/h5,9-12H,1,6-8H2,2-4H3/t10-,11+/m0/s1
InChIKeyGEJNIPPIOPOSDZ-WDEREUQCSA-N
MW170.30 g/mol
LogP2.85
Rot. Bonds6

About (2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol

(2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol (PubChem CID 14606279) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol.

Molecular Properties

Compound Name(2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol
PubChem CID14606279
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol
SMILESC=C[C@H](C)CC[C@H](CO)C(C)C
InChIInChI=1S/C11H22O/c1-5-10(4)6-7-11(8-12)9(2)3/h5,9-12H,1,6-8H2,2-4H3/t10-,11+/m0/s1
InChIKeyGEJNIPPIOPOSDZ-WDEREUQCSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.85
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

(2S)-2-propan-2-ylhexane-1,5-diol
CID 10888208
3,6-dimethylhept-1-ene
CID 18443713
3,6-dimethylhept-1-ene;ethane
CID 142076338
2,5-dimethylhept-6-enal
CID 88788284
butane;3,6-dimethylocta-1,7-diene;ethane;propane
CID 144723339
3,6,7,10-tetramethylundec-1-ene
CID 123914302
(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 122598637
(2S)-6-methyl-2-propan-2-ylheptan-1-ol
CID 167319814
4-propan-2-ylhepta-1,6-diene
CID 14140894
(3S)-3-methylhepta-1,6-diene
CID 145257056
N,5-dimethylhept-6-en-2-amine
CID 138518123
5,5-dimethyl-2-propan-2-ylhexan-1-ol
CID 66057517

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol?
The IUPAC name of (2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol (CID 14606279) is (2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol.
What is the SMILES notation for (2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol?
The canonical SMILES for (2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol is C=C[C@H](C)CC[C@H](CO)C(C)C.
What is the InChIKey of (2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol?
The InChIKey is GEJNIPPIOPOSDZ-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22O/c1-5-10(4)6-7-11(8-12)9(2)3/h5,9-12H,1,6-8H2,2-4H3/t10-,11+/m0/s1.
What are the key properties of (2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol?
(2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol is sourced from PubChem (CID 14606279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).