(3R)-2,2,3-trimethylhex-5-en-3-ol

C9H18O — CID 134940699

IUPAC(3R)-2,2,3-trimethylhex-5-en-3-ol
SMILESC=CC[C@@](C)(O)C(C)(C)C
InChIInChI=1S/C9H18O/c1-6-7-9(5,10)8(2,3)4/h6,10H,1,7H2,2-5H3/t9-/m1/s1
InChIKeyNKCXAYBGSFSPDJ-SECBINFHSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds2

About (3R)-2,2,3-trimethylhex-5-en-3-ol

(3R)-2,2,3-trimethylhex-5-en-3-ol (PubChem CID 134940699) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3R)-2,2,3-trimethylhex-5-en-3-ol.

Molecular Properties

Compound Name(3R)-2,2,3-trimethylhex-5-en-3-ol
PubChem CID134940699
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3R)-2,2,3-trimethylhex-5-en-3-ol
SMILESC=CC[C@@](C)(O)C(C)(C)C
InChIInChI=1S/C9H18O/c1-6-7-9(5,10)8(2,3)4/h6,10H,1,7H2,2-5H3/t9-/m1/s1
InChIKeyNKCXAYBGSFSPDJ-SECBINFHSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.36
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

4-Methyl-1,6-heptadien-4-ol
CID 32837
4-Allyl-1,6-heptadien-4-ol
CID 139107
4-Methyl-1-hepten-4-ol
CID 136921
3-Ethyl-5-hexen-3-ol
CID 137255
1,6-Heptadien-4-ol, 4-ethyl-
CID 40588
4-Propylhept-1-en-4-ol
CID 551382
3-Tert-butyl-2,2,4-trimethylhex-5-en-3-ol
CID 10888893
4-Propyl-1,6-heptadien-4-ol
CID 142990
2,3-Dimethyl-5-hexen-2-ol
CID 85958390
3,4-Dimethyl-5-hexen-3-ol
CID 552025
2,3,3-Trimethyl-4-penten-2-ol
CID 12251652
(3R)-2,3-dimethylhex-5-en-3-ol
CID 59910936

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,3-trimethylhex-5-en-3-ol?
The IUPAC name of (3R)-2,2,3-trimethylhex-5-en-3-ol (CID 134940699) is (3R)-2,2,3-trimethylhex-5-en-3-ol.
What is the SMILES notation for (3R)-2,2,3-trimethylhex-5-en-3-ol?
The canonical SMILES for (3R)-2,2,3-trimethylhex-5-en-3-ol is C=CC[C@@](C)(O)C(C)(C)C.
What is the InChIKey of (3R)-2,2,3-trimethylhex-5-en-3-ol?
The InChIKey is NKCXAYBGSFSPDJ-SECBINFHSA-N. The full InChI is InChI=1S/C9H18O/c1-6-7-9(5,10)8(2,3)4/h6,10H,1,7H2,2-5H3/t9-/m1/s1.
What are the key properties of (3R)-2,2,3-trimethylhex-5-en-3-ol?
(3R)-2,2,3-trimethylhex-5-en-3-ol has a molecular weight of 142.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3-trimethylhex-5-en-3-ol is sourced from PubChem (CID 134940699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).